anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1cc2[C@@H](O)[C@@H](C)[C@@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC COc1cc2[C@@H](O)[C@@H](C)[C@@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC is A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as diol  . It is also related to or classified as lignan  . It is also related to or classified as aromatic ether , oxacycle , organic heterotetracyclic compound .
The molecule C1(=C(C(CCC1(C)C)=O)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C C1(=C(C(CCC1(C)C)=O)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C is A retinoid that is all-trans-retinol in which the hydrogens at position 4 have been replaced by an oxo group. It has the role of antineoplastic agent . Its functional parent is all-trans-retinol . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as retinoid  .  It is also related to or classified as enone  . It is also related to or classified as cyclic ketone .
The molecule C1=CC(=CC=C1/C=C(/C(=O)O)\\S)I is an organoiodine compound that is acrylic acid in which the vinylic hydrogens at positions 2 and 3 are replaced by mercapto and 4-iodophenyl groups respectively (the Z geoisomer). It has a role as a calpain inhibitor and an apoptosis inhibitor. It is an organoiodine compound, a member of cinnamic acids and a thioenol. It derives from a trans-cinnamic acid.
The molecule CC1=C(C(=C(O1)C)[O-])O is an organic anion that is the conjugate base of 4-hydroxy-2,5-dimethyl-3-furanone, obtained by deprotonation of the hydroxy group with concomitant keto/enol-type tautomerisation. It is thought to be a major microspecies at pH 7.3. It is a conjugate base of a 4-hydroxy-2,5-dimethylfuran-3-one.
The molecule COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O is a 4'-methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 6 and 4' and a hydroxy group at position 7. It has a role as a plant metabolite. It is a member of 7-hydroxyisoflavones and a member of 4'-methoxyisoflavones. It derives from an isoflavone.
The molecule C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@H]1OC)C)C is 2-methoxy-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C(=C1)C(=O)[O-])I is an iodobenzoate with a single iodo substituent placed at the 2-position. It is an iodobenzoate and a 2-halobenzoate. It is a conjugate base of a 2-iodobenzoic acid.
The molecule COc1cc2c(c(OC)c1OC)-c1c(cc3OCOc3c1OC)[C@@H](OC(C)=O)[C@@H](C)[C@H](C)C2=O COc1cc2c(c(OC)c1OC)-c1c(cc3OCOc3c1OC)[C@@H](OC(C)=O)[C@@H](C)[C@H](C)C2=O is A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as lignan  .    It is also related to or classified as acetate ester  . It is also related to or classified as aromatic ether , oxacycle , organic heterotetracyclic compound .
The molecule O=C(O)CN1C(=CC=C1CO)COC O=C(O)CN1C(=CC=C1CO)COC is 2-[2-formyl-5-(methoxymethyl)-1H-pyrrol-1-yl]acetic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(O)C1=C2C=C3C(C)=C(C)C4=[N+]3[Mg--]35N6C(=C4)C(C)=C4C(=O)CC(=C64)C4=[N+]3C([C@@H](C)[C@@H]4CCC(=O)OC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C(N25)=C1C CC(O)C1=C2C=C3C(C)=C(C)C4=[N+]3[Mg--]35N6C(=C4)C(C)=C4C(=O)CC(=C64)C4=[N+]3C([C@@H](C)[C@@H]4CCC(=O)OC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C(N25)=C1C is A chlorophyll of photosynthetic bacteria, for example green sulfur bacteria. It is also related to or classified as bacteriochlorophyll  .
The molecule CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])O)O is a monocarboxylic acid anion resulting from deprotonation of the carboxy group of N-acetyl-beta-neuraminic acid. It is a carbohydrate acid derivative anion and a monocarboxylic acid anion. It is a conjugate base of a N-acetyl-beta-neuraminic acid.
The molecule C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@H]4[C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)O is a steroid lactone that has been used in the treatment of preeclampsia. A synthetic bufadienolide it is an antagonist of marinobufagenin (MBG) and differs from it by replacement of its 5beta-OH and 13beta-Me groups by hydrogen. It is a steroid lactone and an epoxy steroid. It derives from a bufanolide.
The molecule C=C(C(=O)O)OP(=O)(C(=O)O)O is an organic phosphonate having O-1-carboxyvinyl and C-carboxy substituents. It is an organic phosphonate and a phosphonic ester. It is a conjugate acid of a 1-carboxylatovinyl carboxylatophosphonate(3-).
The molecule [I-].[I-].[I-].[I-].[H]C(=CC([H])=C1Oc2ccccc2N1C)c1cc[n+](CCC(CCCC(CC[n+]2ccc(C([H])=CC([H])=C3Oc4ccccc4N3C)c3ccccc23)=[N+](C)C)=[N+](C)C)c2ccccc12 [I-].[I-].[I-].[I-].[H]C(=CC([H])=C1Oc2ccccc2N1C)c1cc[n+](CCC(CCCC(CC[n+]2ccc(C([H])=CC([H])=C3Oc4ccccc4N3C)c3ccccc23)=[N+](C)C)=[N+](C)C)c2ccccc12 is YoYo-3. It has the role of fluorochrome . It is also related to or classified as cyanine dye , organic iodide salt .
The molecule OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O is the L-enantiomer of gulonate. It has the role of mammalian metabolite . It has the role of human metabolite . It is also related to or classified as gulonate .
The molecule CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+] is an organic sodium salt resulting from the formal reaction of the sulfonamide amino group of flucarbazone with 1 mol eq. of sodium hydride. An acetolactate synthase inhibitor, it is used as a herbicide to control grass weeds in cereal crops. Not approved for use within the European Union. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a herbicide and an agrochemical. It contains a flucarbazone(1-).
The molecule [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CCC(=C)[C@@H](C)[C@]21[H] [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CCC(=C)[C@@H](C)[C@]21[H] is taraxasterol acetate. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule Nc1nc2n(cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Nc1nc2n(cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is A nucleoside found in tRNA that has an additional cyclopentenyl ring added via an NH group to the methyl group of 7-methyl-7-deazaguanosine. The cyclopentenyl ring may carry other substituents. It is also related to or classified as 7-deazaguanine ribonucleoside .
The molecule C1=CC=C(C=C1)[C@@H]([C@@H](C(=O)[O-])[NH3+])O is zwitterionic form of L-threo-3-phenylserine arising from transfer of a proton from the carboxy to the alpha-amino group; major species at pH 7.3. It is a tautomer of a L-threo-3-phenylserine.
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C is N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC/C=C\\CC(C(/C=C/C=CC=CC=CC(CCCCCC(=O)[O-])O)O)O is a docosanoid anion that is the conjugate base of 7,16,17-trihydroxy-(14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion and a hydroxy polyunsaturated fatty acid anion. It is a conjugate base of a 7,16,17-trihydroxy-(14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid.
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#27. It derives from an oscr#27. It is a conjugate acid of an oscr#27-CoA(4-).
The molecule Oc1ccc(cc1)\N=N\c1ccccc1C(O)=O Oc1ccc(cc1)\N=N\c1ccccc1C(O)=O is an azo compound that is azobenzene in which one phenyl group is substituted at position 4 by a hydroxy group, while the other phenyl group is substituted at position 2 by a carboxy group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry. It has the role of MALDI matrix material . Its functional parent is azobenzene .  It is also related to or classified as phenols  . It is also related to or classified as monocarboxylic acid , monoazo compound .
The molecule OC(=O)Cc1ccc(O)c(O)c1 OC(=O)Cc1ccc(O)c(O)c1 is A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine. It has the role of human metabolite . Its functional parent is phenylacetic acid . It is a conjugate acid of (3,4-dihydroxyphenyl)acetate . It is also related to or classified as catechols  . It is also related to or classified as dihydroxyphenylacetic acid .
The molecule OC(=O)C(\C#N)=C\c1ccc(O)cc1 OC(=O)C(\C#N)=C\c1ccc(O)cc1 is A monohydroxycinnamic acid that is 4-hydroxycinnamic acid in which the hydrogen alpha- to the carboxy group is replaced by a cyano group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of peptides and oligonucleotides. It has the role of MALDI matrix material . It is also related to or classified as nitrile  .  It is also related to or classified as phenols  . It is also related to or classified as monohydroxycinnamic acid .
The molecule [Cl-].CCN1CC(CC[NH+]2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1 [Cl-].CCN1CC(CC[NH+]2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1 is the hydrochloride salt of doxapram. A central and respiratory stimulant with a brief duration of action, both doxapram hydrochloride and its hydrate are used as a temporary treatment of acute respiratory failure, particularly when superimposed on chronic obstructive pulmonary disease, and of postoperative respiratory depression. It has also been used for treatment of postoperative shivering. It has the role of central nervous system stimulant . It is also related to or classified as hydrochloride .
The molecule O1C23[C@@]4(O)[C@@]([C@@]5([C@@](CC4)(CC6=C5NC7=C6C(=C(C=C7)CC=C(C)C)CC=C(C)C)[H])C)(CCC3O[C@]8(C(OC(OC8(C)C)C=C(C)C)C12)[H])C O1C23[C@@]4(O)[C@@]([C@@]5([C@@](CC4)(CC6=C5NC7=C6C(=C(C=C7)CC=C(C)C)CC=C(C)C)[H])C)(CCC3O[C@]8(C(OC(OC8(C)C)C=C(C)C)C12)[H])C is 20,21-Diprenylterpendole C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)C CC(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)C is an acyclic carotene having the structure of psi,psi-carotene shortened by the formal removal of a prenyl group from each end of the molecule. It is also related to or classified as acyclic carotene .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(CNCC(O)=O)c(=O)[nH]c1=O OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(CNCC(O)=O)c(=O)[nH]c1=O is A derivative of uridine, bearing an additional carboxymethylaminomethyl substituent at position 5 on the uracil ring. It is also related to or classified as glycine derivative , uridines .
The molecule OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(C/C=C\CC)O)=O OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\C(C/C=C\CC)O)=O is A hydroxydocosahexaenoic acid that consists of 4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid bearing an additional 17-hydroxy substituent. It has the role of human xenobiotic metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is a conjugate acid of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as hydroxydocosahexaenoic acid .
The molecule OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(CNCC(O)=O)c(=O)[nH]c1=S OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(CNCC(O)=O)c(=O)[nH]c1=S is A thiouridine that is 2-thiouridine bearing an additional carboxymethylaminomethyl substituent at position 5 on the thiouracil ring. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as glycine derivative , thiouridine .
The molecule O([C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O)[C@H]2O[C@@H]([C@@H](O)C[C@H]2N)CO O([C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O)[C@H]2O[C@@H]([C@@H](O)C[C@H]2N)CO is Lividamine. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule O=[I]=O O=[I]=O is iodine dioxide. It is also related to or classified as inorganic radical , iodine oxide .
The molecule CCCCC\C=C/CC(O)C(O)C\C=C/C\C=C/CCCC(O)=O CCCCC\C=C/CC(O)C(O)C\C=C/C\C=C/CCCC(O)=O is A DHET obtained by formal dihydroxylation across the 11,12-double bond of arachidonic acid. It has the role of mouse metabolite . It is a conjugate acid of (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoate . It is also related to or classified as DHET .
The molecule NCCCNCCCCNC(N)=N NCCCNCCCCNC(N)=N is A guanidine that consists of agmatine having a 3-aminopropyl group attached to the N-1 position. Its functional parent is agmatine . It is also related to or classified as guanidines .
The molecule C(CCCCCCCCC#CC#CCCCCC)(=O)O C(CCCCCCCCC#CC#CCCCCC)(=O)O is an octadecadiynoic acid having its triple bonds at positions 10 and 12. It is also related to or classified as octadecadiynoic acid .
The molecule CCCCCC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC(O)=O CCCCCC(O)C(O)C\C=C/C\C=C/C\C=C/CCCC(O)=O is A DHET obtained by formal dihydroxylation across the 14,15-double bond of arachidonic acid. It has the role of mouse metabolite . It is a conjugate acid of (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as diol  . It is also related to or classified as DHET .
The molecule OP(O)([SeH])=O OP(O)([SeH])=O is A phosphoric acid derivative in which one of the OH groups of phosphoric acid is replaced by SeH. It is also related to or classified as phosphoric acid derivative .
The molecule O1[C@](C(O)[C@@H](O)[C@H](O)C1CO)(C2=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)COC(=O)/C=C/C4=CC(O)=C(O)C=C4)C=C5OC(=CC(=O)C5=C2O)C6=CC=C(O)C=C6)[H] O1[C@](C(O)[C@@H](O)[C@H](O)C1CO)(C2=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)COC(=O)/C=C/C4=CC(O)=C(O)C=C4)C=C5OC(=CC(=O)C5=C2O)C6=CC=C(O)C=C6)[H] is Isovitexin 7-O-(6'''-caffeoyl)-beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C is A tetracyclic triterpenoid that is lanosta-8,24-diene substituted by a beta-hydroxy group at the 3beta position. It is the compound from which all steroids are derived. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of bacterial metabolite . It has the role of human metabolite . It is also related to or classified as 14alpha-methyl steroid  .  It is also related to or classified as 3beta-sterol  . It is also related to or classified as tetracyclic triterpenoid .
The molecule COC(=O)N[C@@H](C(Cc1c(C)nc2n(C)c3n(cnc3c(=O)n12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)OO)C(=O)OC COC(=O)N[C@@H](C(Cc1c(C)nc2n(C)c3n(cnc3c(=O)n12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)OO)C(=O)OC is A nucleoside analogue obtained by formal hydroperoxidation at the beta-position on the side chain of wybutosine. Its functional parent is guanosine .  It is also related to or classified as methyl ester  . It is also related to or classified as peroxol  . It is also related to or classified as carbamate ester , nucleoside analogue .
The molecule ClC1=C2C=3[C@]4(O)[C@@](C(O[C@]5([C@]6([C@@]([C@@]7([C@](O)([C@@]89O[C@@]8([C@@H](O)[C@H](O[C@]9(CC7)[H])C(C)=C)[H])CC6)C)(C=%10NC(C3C5%10)=C1)C)[H])[H])(C)C)(C[C@@]4(C(C2)=C)[H])[H] ClC1=C2C=3[C@]4(O)[C@@](C(O[C@]5([C@]6([C@@]([C@@]7([C@](O)([C@@]89O[C@@]8([C@@H](O)[C@H](O[C@]9(CC7)[H])C(C)=C)[H])CC6)C)(C=%10NC(C3C5%10)=C1)C)[H])[H])(C)C)(C[C@@]4(C(C2)=C)[H])[H] is Penitrem A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as palmitoyl and (8Z,11Z,14Z-eicosatrienoyl respectively. It has a role as a mouse metabolite. It derives from a hexadecanoic acid and an all-cis-icosa-8,11,14-trienoic acid.
The molecule NC(=N)NCCCCNc1nc(=N)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O NC(=N)NCCCCNc1nc(=N)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is cytidine in which the 2-keto group on the cytosine ring is substituted by the amino group of agmatine. Its functional parent is agmatine . It is also related to or classified as cytidines .
The molecule [C@]12([C@@]3([C@H]4[NH+](CC3)C\C(\[C@@]([C@@]1([H])C=O)(C4)[H])=C\C)C5=CC=CC=C5N2)[H] [C@]12([C@@]3([C@H]4[NH+](CC3)C\C(\[C@@]([C@@]1([H])C=O)(C4)[H])=C\C)C5=CC=CC=C5N2)[H] is major microspecies at pH 7.3. It is also related to or classified as aldehyde  . It is also related to or classified as ammonium ion derivative , organic heteropentacyclic compound , monoterpenoid indole alkaloid .
The molecule CC(C)=CCCC(=C)CC(C)=O CC(C)=CCCC(=C)CC(C)=O is an olefinic compound that is 8-methylnon-7-en-2-one substituted by a methylidene group at position 4. It has the role of flavouring agent . It is also related to or classified as methyl ketone , olefinic compound .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(CC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(CC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A 3-hydroxy fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxypentanoyl-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 short-chain fatty acyl-CoA .
The molecule N[C@@H](CCCCNc1nc(=N)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O N[C@@H](CCCCNc1nc(=N)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(O)=O is cytidine in which the 2-keto group on the cytosine ring is substituted by an epsilon-Llysyl residue. It is also related to or classified as cytidines , L-lysine derivative , non-proteinogenic L-alpha-amino acid .
The molecule [H]OS(=O)(=O)O[O] [H]OS(=O)(=O)O[O] is (dioxido)hydroxidodioxidosulfur(.). Its functional parent is peroxysulfuric acid . It is also related to or classified as sulfur oxoacid , inorganic radical .
The molecule O1C23C4(C(CC1(O)CC4)CC=C2C56OCCN(CC5(CC3O)C(=CC6)C(O)C)C)C O1C23C4(C(CC1(O)CC4)CC=C2C56OCCN(CC5(CC3O)C(=CC6)C(O)C)C)C is Batrachotoxinin A.  It is also related to or classified as gitoxigenin  . It is also related to or classified as organonitrogen heterocyclic compound .
The molecule O[P][O-] O[P][O-] is hydroxidooxidophosphate(.1-). It is also related to or classified as phosphorus oxoanion , inorganic radical anion , monovalent inorganic anion .
The molecule CCCCC\C=C/C\C=C/CC(O)C(O)C\C=C/CCCC(O)=O CCCCC\C=C/C\C=C/CC(O)C(O)C\C=C/CCCC(O)=O is A DHET obtained by formal dihydroxylation across the 8,9-double bond of arachidonic acid. It has the role of mouse metabolite . It is a conjugate acid of (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as diol  . It is also related to or classified as DHET .
The molecule NC(=[NH2+])NCCCCNc1[nH+]c(=N)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O NC(=[NH2+])NCCCCNc1[nH+]c(=N)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is A guanidinium ion obtained by protonation of the guanidino group and cytidine ring of agmatidine. Nucleotide used in tRNA Ile2 at position 34 in Archaea. Ensures the tRNA only charges Ile and not Met. It is also related to or classified as guanidinium ion  .
The molecule [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 is gitoxigenin. It is also related to or classified as 16beta-hydroxy steroid  . It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 14beta-hydroxy steroid .
The molecule [H][C@@]12C[C@]3([H])N([C@H]4C[C@@]5([C@H](OC(C)=O)C14)c1ccccc1N=C35)[C@H](O)\C2=C\C [H][C@@]12C[C@]3([H])N([C@H]4C[C@@]5([C@H](OC(C)=O)C14)c1ccccc1N=C35)[C@H](O)\C2=C\C is an indole alkaloid that is vinorine bearing a hydroxy substituent at position 21. Its functional parent is vinorine .  It is also related to or classified as hemiaminal  . It is also related to or classified as indole alkaloid .
The molecule [C@H]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)NC(C)=O)OP(OC[C@@H]2[C@H]([C@@H]([C@H](O)[C@H](O2)O)O)O)(O)=O [C@H]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)NC(C)=O)OP(OC[C@@H]2[C@H]([C@@H]([C@H](O)[C@H](O2)O)O)O)(O)=O is A mannose phosphate that is D-mannose phosphorylated at position 6 by a N-acetyl-D-glucosaminyl-1-phosphono group. Found in the milk of giant pandas. It has the role of mammalian metabolite . It is also related to or classified as mannose phosphate , N-acyl-D-glucosamine 1-phosphate .
The molecule N[C@@H](CCCCNc1[nH+]c(=N)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C([O-])=O N[C@@H](CCCCNc1[nH+]c(=N)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C([O-])=O is A zwitterion obtained by transfer of a proton from the carboxy group to the cytidine ring of lysidine. Nucleoside used in tRNA Ile2 at position 34. Ensures the tRNA only charges Ile and not Met. It is also related to or classified as zwitterion  .
The molecule [O-][As]([O-])[O-] [O-][As]([O-])[O-] is an arsenite ion resulting from the removal of all three protons from the hydroxy groups of arsenous acid. It is also related to or classified as arsenite ion , trivalent inorganic anion .
The molecule Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2 Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2 is A hydrochloride obtained by reaction of memantine with one equivalent of hydrochloric acid. A low to moderate affinity uncompetitive (open-channel); NMDA receptor antagonist which binds preferentially to the NMDA receptor-operated cation channels. It has the role of antidepressant . It has the role of antiparkinson drug . It has the role of dopaminergic agent . It has the role of NMDA receptor antagonist . It has the role of neuroprotective agent . It is also related to or classified as hydrochloride .
The molecule O1[C@]23[C@]4([C@@]([C@@]5([C@@](CC4)(CC6=C5NC=7C6=CC=CC7)[H])C)(CC[C@@]3(O[C@@](C[C@@]12[H])(C(O)(C)C)[H])[H])C)[H] O1[C@]23[C@]4([C@@]([C@@]5([C@@](CC4)(CC6=C5NC=7C6=CC=CC7)[H])C)(CC[C@@]3(O[C@@](C[C@@]12[H])(C(O)(C)C)[H])[H])C)[H] is Terpendole B. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [O-][As](=O)([O-])[O-] [O-][As](=O)([O-])[O-] is an arsenate ion resulting from the removal of three protons from arsenic acid. It is also related to or classified as arsenate ion .