anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC(=O)\C=C\C=C\C=C\C=C\C=C\CCCCCCCCCCC OC(=O)\C=C\C=C\C=C\C=C\C=C\CCCCCCCCCCC is Docosa-2,4,6,8,10-pentaenoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule S(CC=1OC=CC1)C2=NC=CN=C2C S(CC=1OC=CC1)C2=NC=CN=C2C is 2-Methyl-3 or 5 or 6-(furfurylthio)pyrazine (mixture of isomers). It is also related to or classified as aryl sulfide .
The molecule O=P([O-])(OCC)NC(C)C O=P([O-])(OCC)NC(C)C is major species at pH 7.3. It is also related to or classified as phosphoramidate ester .
The molecule CCS(=O)(=O)N1CCCCN2[C@@H](C1)[C@H]([C@@H]2CO)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N CCS(=O)(=O)N1CCCCN2[C@@H](C1)[C@H]([C@@H]2CO)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N is 3-[4-[(8R,9R,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC3=CC=CC=C3F C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)C(=O)NC3=CC=CC=C3F is (5S,6R,9R)-14-acetamido-N-(2-fluorophenyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]([C@]1(CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)O)Cl is a pyrrolizine alkaloid that is jacoline in which the secondary hydroxy group has been replaced by a chlorine and the 5-methyl group has been replaced by methylene. It has a role as a Jacobaea metabolite. It is a diol, a macrocyclic lactone, an organic heterotricyclic compound, an organochlorine compound, a pyrrolizine alkaloid and a tertiary amino compound. It derives from a jacoline.
The molecule O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(=O)OC[C@H]2OC(O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]3OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(=O)OC[C@H]2OC(O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]3OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O is A phosphorylated mannosylinositol compound which constitutes the head group of some mannosylinositol phosphorylceramides (the M(IP)2Cs), and is a product of their catabolism. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is mannosylinositol phosphorylceramide . It is a conjugate acid of mannose-(1D-myo-inositol 1-phosphate)2(3-) . It is also related to or classified as myo-inositol monophosphate derivative .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and (8Z,11Z,14Z)-icosatrienoyl respectively. It derives from a hexadecanoic acid and an all-cis-icosa-8,11,14-trienoic acid. It is a tautomer of a 1-hexadecanoyl-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phosphoethanolamine zwitterion.
The molecule CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(C)C)N=C2C=C1)C5=CC=CC=C5.[Cl-] is an organic chloride salt. It has a role as a dye. It contains a Janus Green B cation.
The molecule C#CCOCCOCCOCCC(C(=O)NCCN(CC(=O)NCCNC1=C(C(=O)C1=O)NCCNC(=O)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)CC(=O)NCCNC8=C(C(=O)C8=O)NCCNC(=O)CCCCCO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)C(=O)NCCN(CC(=O)NCCNC1=C(C(=O)C1=O)NCCNC(=O)CCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)CC(=O)NCCNC1=C(C(=O)C1=O)NCCNC(=O)CCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O is a dendrimer macromolecule consisting of a malonamide core, each N of which carries a 2-[bis(2-{[2-({2-[(2-{[6-(beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyloxy)hexanoyl]amino}ethyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)ethyl]amino}-2-oxoethyl)amino]ethyl branch and with a 2-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)ethyl substituent at C-2.
The molecule [H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(O)=O)[C@]1([H])CC3)[C@H](C)CCC=C(C)C [H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(O)=O)[C@]1([H])CC3)[C@H](C)CCC=C(C)C is A 3beta-sterol that consists of 4beta-methylzymosterol in which the 4alpha-hydrogen is replaced by a carboxy group. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is zymosterol . It is a conjugate acid of 4beta-methylzymosterol-4alpha-carboxylate . It is also related to or classified as 3beta-sterol  .
The molecule CCC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)O)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)N is a linear 27-membered polypeptide comprising the sequence Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Lys-Gly-Glu-Asn-Pro-Val-Val-His-Phe-Phe-Lys-Asn-Ile-Val-Thr-Pro-Arg-Thr-Pro. Corresponds to the sequence of the myelin basic protein 83-99 (MBP83-99) immunodominant epitope with an (L-lysylglycyl)5 [(KG5)] linker attached to the glutamine(83) (E(83)) residue.
The molecule C[C@H](CC(=O)NCCCC[C@@H](CO)NC(C[C@@H](C)[N+]#[C-])=O)[N+]#[C-] C[C@H](CC(=O)NCCCC[C@@H](CO)NC(C[C@@H](C)[N+]#[C-])=O)[N+]#[C-] is major species at pH 7.3. It is also related to or classified as an isonitrile lipopeptide  .
The molecule C1(=CC=CC2=C1C(C=3[C@H]([C@H](C(=CC3O2)C)O)C(O)=O)=O)O C1(=CC=CC2=C1C(C=3[C@H]([C@H](C(=CC3O2)C)O)C(O)=O)=O)O is A member of the class of xanthones that is 1,2-dihydro-9H-xanthen-9-one substituted by a carboxy group at position 1R, hydroxy groups at positions 2R and 8, and a methyl group at position 3. It has been isolated from the fungus Paecilomyces variotti. It has the role of fungal metabolite .  It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as monocarboxylic acid , xanthones .
The molecule C12=C3C=CC(OC3=CC(=C1C(C[C@H](O2)C=4C=CC(=CC4)OC)=O)OC)(C)C C12=C3C=CC(OC3=CC(=C1C(C[C@H](O2)C=4C=CC(=CC4)OC)=O)OC)(C)C is an extended flavonoid that is 2,3-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one which is substituted by a p-methoxyphenyl group at the 2-pro-S position, a methoxy group at position 5, and two methyl groups at position 8. It has the role of plant metabolite . It is also related to or classified as polyketide  .  It is also related to or classified as flavanones  . It is also related to or classified as organic heterotricyclic compound , aromatic ether , extended flavonoid , aromatic ketone .
The molecule C1(=CC=CC=C1OC)C(NS(C2=CC=C(C=C2)C(=O)NC3CC3)(=O)=O)=O C1(=CC=CC=C1OC)C(NS(C2=CC=C(C=C2)C(=O)NC3CC3)(=O)=O)=O is an N-sulfonylcarboxamide resulting from the formal condensation of the sulfonamide nitrogen of p-(cyclopropylaminocarbonyl)benzenesulfonamide with the carboxy group of O-methylsalicylic acid. It is a herbicide safener, used in conjunction with the Bayer herbicide tembotrione. It has the role of herbicide safener . Its functional parent is O-methylsalicylic acid .  It is also related to or classified as N-sulfonylcarboxamide  . It is also related to or classified as cyclopropanes .
The molecule COc1c(O)ccc2c1oc1cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c1c2=O COc1c(O)ccc2c1oc1cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c1c2=O is A C-glycosyl compound that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6, a methoxy group at position 5 and a beta-D-glucopyranosyl residue at position 1 via a  C-glycosyl linkage. It has the role of plant metabolite . It is also related to or classified as C-glycosyl compound , polyphenol , aromatic ether , xanthones .
The molecule Cl.CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1 Cl.CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1 is the hydrochloride salt of (S)-cyclopentolate. It is also related to or classified as cyclopentolate hydrochloride , hydrochloride .
The molecule C[N+](C)(C)CCOP(=O)([O-])OCCCCCC(=O)[O-] is a dialkyl phosphate anion formed by deprotonation of both the phosphoric and carboxylic acid groups of 6-(O-phosphocholine)hydroxyhexanoic acid. It is a carboxylic acid anion and a dialkyl phosphate anion. It is a conjugate base of a 6-(O-phosphocholine)oxyhexanoic acid betaine and a 6-(O-phosphocholine)oxyhexanoate.
The molecule C=1(C=C(C=C(C1C(C2=C(C=CC=C2C(O)=O)O)=O)O)C)O C=1(C=C(C=C(C1C(C2=C(C=CC=C2C(O)=O)O)=O)O)C)O is A member of the class of benzophenones that is benzophenone in which one phenyl group is substituted at positions 2 and 6 by hydroxy groups and at position 4 by a methyl group while the other is substituted at positions 2 and 6 by hydroxy and carboxy groups, respectively. It is a secondary metabolite isolated from the fungal species Graphiopsis chlorocephala, Paecilomyces variotii and Pseudopalawania siamensis. It has the role of fungal metabolite . It is also related to or classified as benzoic acids , benzophenones , monocarboxylic acid , resorcinols .
The molecule COc1ccccc1C(O)=O COc1ccccc1C(O)=O is A  methoxybenzoic acid that is the methyl ether of salicylic acid. It has the role of non-steroidal anti-inflammatory drug . It has the role of flavouring agent . It is a conjugate acid of O-methylsalicylate . It is also related to or classified as methoxybenzoic acid .
The molecule C1[C@@]2([C@]3(C=C[C@]4(C(=C3CC[C@@]2(C=CC1)[H])CC[C@@]4([C@H](C)CCC(O)=O)[H])C)[H])C C1[C@@]2([C@]3(C=C[C@]4(C(=C3CC[C@@]2(C=CC1)[H])CC[C@@]4([C@H](C)CCC(O)=O)[H])C)[H])C is A C24-steroid that is cholanic acid which has been triply dehydrogenated to introduce double bonds at the 3-4, 8-14, and 11-12 positions. It is also related to or classified as C24-steroid , 5beta steroid , steroid acid .
The molecule O=C1N[C@H](C(=O)N[C@H]1CC(C)C)C O=C1N[C@H](C(=O)N[C@H]1CC(C)C)C is ImDKP. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO is A glycosylgalactose consisting of beta-D-mannopyranose and beta-D-galactopyranose residues joined in sequence by a (1->4) glycosidic bond. It is also related to or classified as glycoside  .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O is a quercetin O-glycoside that consists of quercetin attached to a alpha-L-rhamnopyranosyl moiety at position 4' and a beta-D-allopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Acacia pennata, it exhibits inhibitory activity against cyclooxygenase 1 and 2. It has a role as a metabolite, a cyclooxygenase 1 inhibitor and a cyclooxygenase 2 inhibitor. It is an alpha-L-rhamnoside and a quercetin O-glycoside. It derives from a beta-D-allose.
The molecule O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(CCCCCCC(/C=C\CCCCCCCC)O)=O O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(CCCCCCC(/C=C\CCCCCCCC)O)=O is A 1-O-acyl-sn-glycero-3-phosphocholine obtained by hydroxylation at position 8 of 1-O-oleoyl-sn-glycero-3-phosphocholine.  It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine 18:1  . It is also related to or classified as oxidized 1-acyl-sn-glycero-3-phosphocholine zwitterion .
The molecule O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CS([O-])(=O)=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CS([O-])(=O)=O)OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is trianion of UDP-6-sulfoquinovose arising from deprotonation of diphosphate and sulfonate OH groups; major species at pH 7.3. Its functional parent is quinovose . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule [H][C@]12CN3CCC4=C(NC5=C4C=CC=C5)[C@]3([H])C[C@]1([H])C(=CO[C@H]2C)C(=O)OC [H][C@]12CN3CCC4=C(NC5=C4C=CC=C5)[C@]3([H])C[C@]1([H])C(=CO[C@H]2C)C(=O)OC is A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from several Rauvolfia and Catharanthus species. It is a selective alpha1-adrenoceptor antagonist used for the treatment of high blood pressure. It has the role of vasodilator agent . It has the role of antihypertensive agent . It has the role of alpha-adrenergic antagonist . It is also related to or classified as methyl ester  . It is also related to or classified as organic heteropentacyclic compound , monoterpenoid indole alkaloid .
The molecule C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C is a bile acid taurine conjugate of ursocholic acid. It has a role as a human metabolite and a rat metabolite. It derives from an ursocholic acid. It is a conjugate acid of a tauroursocholate.
The molecule O([C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O([C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is A beta-L-Fucp-(1->2)-D-Galp in which the carbon bearing the anomeric hydroxy group has beta configuration. Its functional parent is beta-D-galactose . Its functional parent is beta-L-fucose . It is also related to or classified as beta-L-Fucp-(1->2)-D-Galp  .
The molecule C[C@@](CCO)(CC(=O)[O-])O is a mevalonate. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a (R)-mevalonic acid. It is an enantiomer of a (S)-mevalonate.
The molecule S=C=N/C(/C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@H]([C@](O)([C@@H](OC(=O)C(C)C)C)[C@@H](C2)O)C)[C@H](O)[C@H]([C@@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@H]1COC(=O)C)=C/C S=C=N/C(/C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@H]([C@](O)([C@@H](OC(=O)C(C)C)C)[C@@H](C2)O)C)[C@H](O)[C@H]([C@@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@H]1COC(=O)C)=C/C is O-demethylpaulomycin B. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(C[C@@H](C)[N+]#[C-])=O)[O-])[C@@H](O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(C[C@@H](C)[N+]#[C-])=O)[O-])[C@@H](O)[C@H]3O is major species at pH 7.3. It is also related to or classified as (3R)-3-isocyanoyl-fatty acid adenylate(1-)  .
The molecule C=1C=CC=2NC=3[C@]4([NH+](CCC3C2C1)C[C@]5([C@@](C(=CO[C@H]5C)C(OC)=O)(C4)[H])[H])[H] C=1C=CC=2NC=3[C@]4([NH+](CCC3C2C1)C[C@]5([C@@](C(=CO[C@H]5C)C(OC)=O)(C4)[H])[H])[H] is an ammonium ion resulting from the protonation of the tertiary amino group of ajmalicine. The major species at pH 7.3. It is a conjugate acid of ajmalicine . It is also related to or classified as ammonium ion derivative .
The molecule [H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C([O-])=O)[C@]1([H])CC3)[C@H](C)CCC=C(C)C [H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C([O-])=O)[C@]1([H])CC3)[C@H](C)CCC=C(C)C is A steroid acid anion that is the conjugate base of 4beta-methylzymosterol-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as steroid acid anion .
The molecule O1[C@H](OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO O1[C@H](OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO is an amino disaccharide consisting of alpha-D-mannopyranose and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by a (1->6) glycosidic bond. Its functional parent is alpha-D-mannose . Its functional parent is N-acetyl-D-glucosamine . It is also related to or classified as acetamides , amino disaccharide , glycosylglucose derivative .
The molecule CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is A 3-hydroxy fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of 3-hydroxyoctadecanoyl-CoA; major species at pH 7.3. It is also related to or classified as 3-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as 11,12-saturated fatty acyl-CoA(4-)  .
The molecule CCCCCCC(C)CCCCCCCCCCC(=O)O is a methyl-branched fatty acid that is octadecanoic (stearic) acid bearing a methyl substituent at position 12. It is a methyl-branched fatty acid, a long-chain fatty acid and a branched-chain saturated fatty acid. It derives from an octadecanoic acid. It is a conjugate acid of a 12-methyloctadecanoate.
The molecule [Cl-].[Cl-].[Cl-].[H]C(=O)O[Ru]([NH3+])([NH3+])([NH3+])([NH3+])O[Ru]([NH3+])([NH3+])([NH3+])([NH3+])OC([H])=O [Cl-].[Cl-].[Cl-].[H]C(=O)O[Ru]([NH3+])([NH3+])([NH3+])([NH3+])O[Ru]([NH3+])([NH3+])([NH3+])([NH3+])OC([H])=O is A binuclear oxo-bridged Ru compound that selectively inhibits mitochondrial calcium uniporter mediated Ca(2+)-uptake with nanomolar potency in cells. It has the role of mitochondrial calcium uniporter inhibitor . It has the role of calcium channel blocker . It has the role of cardioprotective agent . It is also related to or classified as ruthenium coordination entity .
The molecule Br[H] Br[H] is A diatomic molecule containing covalently bonded hydrogen and bromine atoms. It has the role of mouse metabolite . It is a conjugate acid of bromide .  It is also related to or classified as hydrogen halide  . It is also related to or classified as gas molecular entity , mononuclear parent hydride .
The molecule O([C@@H]1[C@@H](NC(=O)C)C(O[C@@H]([C@H]1O)CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO O([C@@H]1[C@@H](NC(=O)C)C(O[C@@H]([C@H]1O)CO)O)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO is an amino disaccharide consisting of alpha-D-mannopyranose and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by a (1->3) glycosidic bond. Its functional parent is alpha-D-mannose . It is also related to or classified as acetamides , amino disaccharide , glycosylglucose derivative .
The molecule C=1C=CC=2NC=3[C@]4(N(CCC3C2C1)C[C@@]5([C@@](C(=CO[C@H]5C)C(OC)=O)(C4)[H])[H])[H] C=1C=CC=2NC=3[C@]4(N(CCC3C2C1)C[C@@]5([C@@](C(=CO[C@H]5C)C(OC)=O)(C4)[H])[H])[H] is A heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species. It has the role of plant metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as yohimban alkaloid , organic heteropentacyclic compound .
The molecule CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)c1O CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)c1O is Filixic acid BBB. Its functional parent is phloroglucinol . It is also related to or classified as carboxylic ester  .
The molecule CCCCCCCCCCCCOS(=O)(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O is an aminoglycoside sulfate salt and an erythromycin derivative. It has a role as an enzyme inhibitor. It contains an erythromycin A 2'-propanoate.
The molecule O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is A glycosyl glycoside derivative that is 2-acetamido-2-deoxy-alpha-D-glucopyranose in which the anomeric hydroxy group has been converted into the corresponding alpha-D-glucopyranosyl derivative. Its functional parent is alpha-D-glucose . Its functional parent is N-acetyl-alpha-D-glucosamine . It is also related to or classified as acetamides , glycosyl glycoside derivative .
The molecule ClC=1C=C(NC2=NC=NC=3C2=CC(NC(=O)\C=C\CN4CCCCC4)=C(OC)C3)C=CC1F ClC=1C=C(NC2=NC=NC=3C2=CC(NC(=O)\C=C\CN4CCCCC4)=C(OC)C3)C=CC1F is A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group. It has the role of antineoplastic agent . It has the role of epidermal growth factor receptor antagonist . It is also related to or classified as secondary carboxamide  .     It is also related to or classified as enamide  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as piperidines , quinazolines , secondary amino compound , tertiary amino compound , monochlorobenzenes .
The molecule NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(\C=C\C)=O)[O-])[C@@H](O)[C@H]3O NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OC(\C=C\C)=O)[O-])[C@@H](O)[C@H]3O is major species at pH 7.3. It is also related to or classified as (2E)-2-fatty-enoyladenylate(1-)  .
The molecule C=1C=CC=2NC=3[C@]4([NH+](CCC3C2C1)C[C@@]5([C@@](C(=CO[C@H]5C)C(OC)=O)(C4)[H])[H])[H] C=1C=CC=2NC=3[C@]4([NH+](CCC3C2C1)C[C@@]5([C@@](C(=CO[C@H]5C)C(OC)=O)(C4)[H])[H])[H] is an ammonium ion resulting from the protonation of the tertiary amino group of tetrahydroalstonine. The major microspecies at pH 7.3. It is a conjugate acid of tetrahydroalstonine . It is also related to or classified as ammonium ion derivative .
The molecule [Cl-].CC[NH2+]C(C)Cc1cccc(c1)C(F)(F)F [Cl-].CC[NH2+]C(C)Cc1cccc(c1)C(F)(F)F is the hydrochloride salt of fenfluramine. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine hydrochloride was used for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension. It has the role of serotonergic agonist . It has the role of appetite depressant . It has the role of serotonin uptake inhibitor . It is also related to or classified as hydrochloride , organoammonium salt .
The molecule [Cl-].CC[NH2+][C@@H](C)Cc1cccc(c1)C(F)(F)F [Cl-].CC[NH2+][C@@H](C)Cc1cccc(c1)C(F)(F)F is the hydrochloride salt of (S)-fenfluramine. It stimulates the release of serotonin and selectively inhibits its reuptake, but unlike the racemate it does not possess catecholamine agonist activity. It was formerly given by mouth in the treatment of obesity, but, like the racemate, was withdrawn wolrdwide following reports of valvular heart defects. It has the role of serotonergic agonist . It has the role of appetite depressant . It has the role of serotonin uptake inhibitor . It is also related to or classified as fenfluramine hydrochloride  .