anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3CCOCC3 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3CCOCC3 is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@@H]4[C@H]([C@H](O[C@@H]([C@@H]4O)CO)OP(=O)([O-])OP(=O)([O-])OC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(/C)\\CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)NC(=O)C)NC(=O)C)CO)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O is an organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol. It is a conjugate base of an alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol.
The molecule CC1(C)CC(=C)C(=O)O1 CC1(C)CC(=C)C(=O)O1 is A butan-4-olide having a methylene group at the 3-position and two methyl substituents at the 5-position. It is also related to or classified as butan-4-olide .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OCC(=O)O is a 17beta-hydroxy steroid that is 17beta-estradiol in which the 3-hydroxy group carries a carboxymethyl substituent. It has a role as a hapten. It is a 17beta-hydroxy steroid, a monocarboxylic acid and an ether. It derives from a 17beta-estradiol.
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CN=CN=C3)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)CC3=CN=CN=C3)C is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(C1=C(C=C2OC=C(C(=O)C2=C1)C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)O)C O(C1=C(C=C2OC=C(C(=O)C2=C1)C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)O)C is A glycosyloxyisoflavone that is the glucuronide-conjugated form of the phytoestrogen glycitein. Its functional parent is glycitein . It is also related to or classified as 7-hydroxyisoflavone  . It is also related to or classified as beta-D-glucosiduronic acid , methoxyisoflavone , monosaccharide derivative , glycosyloxyisoflavone .
The molecule CC(=C[C@H]1O[C@H]2[C@@H]3[C@@]4(O3)C(=CC[C@]5([C@]4(CC[C@@H]6[C@@]5(C7=C(C6)C8=CC=CC=C8N7)C)O)C)O[C@@H]2C(O1)(C)C)C is an organic heteroheptacyclic compound isolated from Albophoma yamanashiensis and has been shown to exhibit inhibitory activity against acyl-CoA:cholesterol acyltransferase. It has a role as a metabolite and an EC 2.3.1.26 (sterol O-acyltransferase) inhibitor. It is an organic heterooctacyclic compound, an epoxide, a tertiary alcohol and a cyclic acetal.
The molecule CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)OC[C@H]1C)C)OC)C is N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=CC(=O)C(C1(C)C)CC(=O)[O-] is a 4-oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid. It is a 4-oxo monocarboxylic acid anion and a cyclic ketone. It derives from an acetate. It is a conjugate base of a (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)CC4CC4 is N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1 is a macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species. It has a role as a fungal metabolite and a mycoestrogen. It is a macrolide and a member of resorcinols.
The molecule C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](CC(=O)[C@H](O2)CO)N)O)O)N is an aminoglycoside that is 4alpha,6alpha-diaminocyclohexane-1beta,2alpha,3beta-triol in which the pro-R hydroxy group has been converted into its 2-amino-2,3-dideoxy-alpha-D-erythro-hexopyranosid-4-ulose derivative. It has a role as a bacterial xenobiotic metabolite. It is an aminoglycoside, a primary amino compound and a triamine. It derives from a 2-deoxystreptamine.
The molecule C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CC=CC=N4 C[C@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CC3)C(=O)N(C[C@H]1OC)C)C)C(=O)CC4=CC=CC=N4 is N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(2-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O([C@H]1[C@H](O)[C@@H](O)C(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(O[C@@H]1CO)O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO is A glycosylglucose that is D-glucopyranose in which the hydroxy group at position 4 has been converted into the corresponding alpha-D-galactoside.  It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as glycosylglucose .
The molecule CC(C)CC(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=C(O2)C(C)(C)O is a furanocoumarin that is 2H-furo[2,3-h]chromen-2-one substituted by a hydroxy group at position 5, 2-hydroxypropan-2-yl group at position 8, a 3-methylbutanoyl group at position 6 and a phenyl group at position 4. Isolated from the bark of Ochrocarpos punctatus, it exhibits cytotoxicity against the A2780 ovarian cancer cell line. It has a role as a metabolite and an antineoplastic agent. It is a furanocoumarin, a member of phenols and a tertiary alcohol.
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C3=NC=CN=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)C4CC4 is N-[(4S,7S,8R)-5-[cyclopropyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-pyrazinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule P(OC[C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-] P(OC[C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-] is A phosphatidylcholine 38:4 in which the acyl groups at positions 1 and 2 are specified as oleoyl and (8Z,11Z,14Z)-icosatrienoyl respectively. Its functional parent is oleic acid . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as phosphatidylcholine 38:4  .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O)O is a tetrasaccharide consisting of raffinose, to the furanose O-1 position of which is linked an alpha-D-galactosyl group. It derives from a raffinose.
The molecule C1CC(=O)OC2=C1C3=CC=CC=C3C=C2 is a benzochromenone that is 2,3-dihydro-1H-benzo[f]chromene substituted by an oxo group at position 3. It has been found to exhibit potential inhibitory activity against Sir2 proteins. It has a role as a Sir2 inhibitor and a platelet aggregation inhibitor. It is a benzochromenone, a delta-lactone and a naphtho-alpha-pyrone.
The molecule CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCOCC3)OC[C@H]1C)C)OC)C CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3CCOCC3)OC[C@H]1C)C)OC)C is N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN(C)CCOC(=O)CCC1=CC=CC=C1 CN(C)CCOC(=O)CCC1=CC=CC=C1 is 3-phenylpropanoic acid 2-(dimethylamino)ethyl ester. It is also related to or classified as fatty acid ester  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O is an N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 28 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecasphing-4-enine.
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=NC=CN=C3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=NC=CN=C3)C)OC)C is N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyrazinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\\N)N)N)/N)Cl is a bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. It has a role as an antiinfective agent and an antibacterial agent. It is a member of biguanides and a member of monochlorobenzenes. It derives from a biguanide.
The molecule C[C@H](CC/C=C(\\C)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C is a 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA. It has a role as a bile acid metabolite. It is a conjugate acid of a (24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA(4-).
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)C(F)(F)F is N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1(C)CCCC2=C1C(=O)[C@H](O)[C@]1(O)C[C@](C)(CC[C@]21O)C=C CC1(C)CCCC2=C1C(=O)[C@H](O)[C@]1(O)C[C@](C)(CC[C@]21O)C=C is Smardaesidin F. It has the role of metabolite . It is also related to or classified as tricyclic diterpenoid .
The molecule C[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)N is a purine ribonucleoside 5'-monophosphate that is adenosine 5'-monophosphate in which one of the hydroxy groups of the phosphate has been condensed with the carboxylic acid group of D-alanine. It is a purine ribonucleoside 5'-monophosphate and a D-alanine derivative. It derives from an adenosine 5'-monophosphate. It is a tautomer of a D-alanyl-AMP zwitterion.
The molecule CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-isoleucine; major species at pH 7.3. It is a tautomer of a L-isoleucine.
The molecule O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCC(C)C)C O=C1C2=C(C(O)=C(OC)C=C2O)C(=O)[C@H]3[C@H]1CO[C@](C3)(OCCC(C)C)C is 3-O-3'-methylbutyl-4a,10a-dihydrofusarubin A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@@]12[C@@H]3OC(=O)[C@@]1(CCCC2(C)C)[C@@]1(O)C[C@H](O)[C@](C)(C=C)C=C1[C@@H]3O [H][C@@]12[C@@H]3OC(=O)[C@@]1(CCCC2(C)C)[C@@]1(O)C[C@H](O)[C@](C)(C=C)C=C1[C@@H]3O is Smardaesidin E, (rel)-. It has the role of metabolite . It is also related to or classified as gamma-lactone  .
The molecule C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)C#N is a pyrimidine 2'-deoxyribonucleoside that is 2'-deoxycytidine having a cyano group in the 2'-position. It is the active metabolite of the anti-cancer drug, sapacitabine which is currently in clinical development for the treatment of hematologic malignancies and solid tumors. It has a role as an antineoplastic agent, a drug metabolite and a DNA synthesis inhibitor. It is a pyrimidine 2'-deoxyribonucleoside and a nitrile.
The molecule [H][C@]12C[C@]([H])(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])C(=C)CO [H][C@]12C[C@]([H])(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])C(=C)CO is A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus and displays antiangiogenic activity by inhibiting the viability, migration, and tube formation in HUVECs. It has the role of angiogenesis inhibitor . It has the role of plant metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as sesquiterpenoid , triol , carbotricyclic compound .
The molecule [H][C@@]12CC(=O)C3=C[C@](C)(CC[C@]3(O)[C@@]1(C)[C@H](O)C[C@H](O)C2(C)C)C=C [H][C@@]12CC(=O)C3=C[C@](C)(CC[C@]3(O)[C@@]1(C)[C@H](O)C[C@H](O)C2(C)C)C=C is Smardaesidin D. It has the role of metabolite . It is also related to or classified as tricyclic diterpenoid .
The molecule C1CCC(C1)(C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)CC5=CN=CN=C5)O C1CCC(C1)(C#CC2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)CC5=CN=CN=C5)O is 1-[2-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(5-pyrimidinylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]ethynyl]-1-cyclopentanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC is A 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl groups are palmitoyl and oleoyl respectively. It is a conjugate acid of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .
The molecule CCCCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)([O-])[O-])O is a 1-(Z)-alk-1-enyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of any 1-(1Z-octadecenyl)-sn-glycero-3-phosphate; major species at pH 7.3. It is a conjugate base of a 1-(1Z-octadecenyl)-sn-glycero-3-phosphate.
The molecule [H][C@@]12C[C@]3(O)OC[C@@]1([C@H](O)CCC2(C)C)[C@@]1(O)CC[C@](C)(C=C)C=C31 [H][C@@]12C[C@]3(O)OC[C@@]1([C@H](O)CCC2(C)C)[C@@]1(O)CC[C@](C)(C=C)C=C31 is Smardaesidin C, (rel)-. It has the role of metabolite . It is also related to or classified as oxanes .
The molecule C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=CC=C2)/C=C/C(=C/[C@H](C)[C@H](CC3=CC=CC=C3)OC)/C is a microcystin consisting of D-alanyl, L-leucyl, (3S)-3-methyl-D-beta-aspartyl, L-phenylalanyl, (2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl, D-gamma-glutamyl, and 2,3-didehydro-N-methylalanyl residues joined into a 25-membered macrocycle. It has a role as a bacterial metabolite, an environmental contaminant and a xenobiotic.
The molecule [H][C@@]12CC(=O)C3=C[C@](C)(CC[C@]3(O)[C@@]1(CO)[C@H](O)CCC2(C)C)C=C [H][C@@]12CC(=O)C3=C[C@](C)(CC[C@]3(O)[C@@]1(CO)[C@H](O)CCC2(C)C)C=C is Smardaesidin B, (rel)-. It has the role of metabolite . It is also related to or classified as tricyclic diterpenoid .
The molecule C1CC1CN2[C@@H]([C@H](C23CN(C3)C(=O)C4=CC=CC=C4F)C5=CC=CC=C5)CO C1CC1CN2[C@@H]([C@H](C23CN(C3)C(=O)C4=CC=CC=C4F)C5=CC=CC=C5)CO is [(2S,3R)-1-(cyclopropylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(2-fluorophenyl)methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCCCCCCCCCC(C(=O)O)O is a 2-hydroxy fatty acid comprising a C16 straight chain carrying a hydroxy substituent at position 2. It has a role as a human metabolite. It is a 2-hydroxy fatty acid and a long-chain fatty acid. It is a conjugate acid of a 2-hydroxyhexadecanoate.
The molecule [H][C@]12[C@H](CO)[C@@]1(C)CC[C@@]1(O)[C@]22OC(=O)[C@@]11CCCC(C)(C)[C@]1([H])C(=O)[C@@H]2O [H][C@]12[C@H](CO)[C@@]1(C)CC[C@@]1(O)[C@]22OC(=O)[C@@]11CCCC(C)(C)[C@]1([H])C(=O)[C@@H]2O is Smardaesidin A, (rel)-. It has the role of metabolite . It is also related to or classified as gamma-lactone  .
The molecule CCCCNC(=O)[C@H](CS)NC(=O)[C@@H](C1=CC=CC=C1)O is a cysteine derivative obtained by formal condensation between N-butyl-L-cysteinamide and (R)-2-hydroxy-2-phenylacetic acid. It is a secondary alcohol, a monocarboxylic acid amide and a L-cysteine derivative.
The molecule COC(=O)CC1=CC=C(OCC(O)C(C)=C)C=C1 COC(=O)CC1=CC=C(OCC(O)C(C)=C)C=C1 is A methyl ester resulting from the formal condensation of the the carboxy group of {4-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]phenyl}acetic acid with methanol. It is a natural product isolated from the culture of the deep sea-derived fungus Aspergillus westerdijkiae SCSIO 05233. It has the role of marine metabolite . It has the role of Aspergillus metabolite . Its functional parent is 2-[4-(2-hydroxy-3-methylbut-3-enoxy)phenyl]acetic acid . It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as methyl ester  . It is also related to or classified as benzenes , aromatic ether .
The molecule CC(=O)c1ccc(OC2Cc3c(O2)ccc(C(C)=O)c3O)cc1O CC(=O)c1ccc(OC2Cc3c(O2)ccc(C(C)=O)c3O)cc1O is (+)-Ganodone. It has the role of metabolite . It is also related to or classified as benzofurans .
The molecule C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C)O is a 3-oxo-5beta-steroid that is 5beta-pregnan-3-one carrying an additional 20alpha-hydroxy substituent. It is a 20-hydroxy steroid and a 3-oxo-5beta-steroid. It derives from a hydride of a 5beta-pregnane.
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion resulting from the removal of two protons from the phosphate group of ditrans,polycis-dodecaprenyl phosphate. It is a conjugate base of a ditrans,polycis-dodecaprenyl phosphate.
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC is N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]1(NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCS(C)=O)C(=O)N2)OC(=O)C[C@@H]1O)[C@@H](C)CC [H][C@@]1(NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCS(C)=O)C(=O)N2)OC(=O)C[C@@H]1O)[C@@H](C)CC is Spiruchostatin C. It has the role of metabolite .  It is also related to or classified as cyclodepsipeptide  . It is also related to or classified as spiruchostatin .
The molecule C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@H]1CN(C)CC4=CC=NC=C4)[C@@H](C)CO is N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-morpholinyl)propanamide. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CN1CC[C@H]2CC[C@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC CN1CC[C@H]2CC[C@H]([C@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC is LSM-38056. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[N+]1=CC=CC=C1/C=N/O.[I-] is an organic iodide salt that has pralidoxime as the cation. It has a role as a cholinesterase reactivator and a cholinergic drug. It is a pyridinium salt and an organic iodide salt. It contains a pralidoxime.
The molecule [H][C@]12C\C(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])=C(\C)CO [H][C@]12C\C(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])=C(\C)CO is A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus. It has the role of plant metabolite . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as sesquiterpenoid , triol , carbotricyclic compound .
The molecule CCCC[C@H]1NC(=O)C[C@@H]2OC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)[C@@H](C)CC CCCC[C@H]1NC(=O)C[C@@H]2OC(=O)C[C@H](O)[C@@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)[C@@H](C)CC is Thailandepsin B. It has the role of metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C=C\\C(CCCC(=O)[O-])O is an unsaturated fatty acid anion that is the conjugate base of 5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a 5-HETE.
The molecule CC[C@H](C)[C@@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O CC[C@H](C)[C@@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O is Thailandepsin A. It has the role of metabolite . It is also related to or classified as cyclodepsipeptide  .
The molecule O[C@@H]1COC(O)[C@H](O)[C@@H]1O O[C@@H]1COC(O)[C@H](O)[C@@H]1O is A D-ribose and the D-enantiomer of ribopyranose. It is also related to or classified as D-ribose  . It is also related to or classified as ribopyranose  .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoic acid. It is an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (2E,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA(4-).
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CC3 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CC3 is N-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)C5=NC[C@H](C)CC5)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)C5=NC[C@H](C)CC5)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2 is Solacongestidine. It has the role of metabolite . It is also related to or classified as steroid alkaloid .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC is A phosphatidylglycerol(1-) that is the conjugate base of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol obtained by deprotonation of the phosphate OH group; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoglycerol(1-)  . It is also related to or classified as phosphatidylglycerol(1-)  .