anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCO.C1=CC=C(C(=C1)N)S/C(=C(/C(=C(/SC2=CC=CC=C2N)\\N)/C#N)\\C#N)/N is an addition compound obtained by combining equimolar amounts of (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile (U0126) and ethanol. An inhibitor of mitogen-activated protein kinase that also exhibits anti-cancer properties. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor, an apoptosis inducer, an antineoplastic agent, an antioxidant, an osteogenesis regulator and a vasoconstrictor agent. It contains an U0126.
The molecule C1C(=O)O[C@](CC[C@H]1C(=C)C)(O)C C1C(=O)O[C@](CC[C@H]1C(=C)C)(O)C is A (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has R configuration at position 7. Its functional parent is (1S,4R)-1-hydroxylimonen-2-one . It is also related to or classified as (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one  .
The molecule C1(=C(C=C(C=C1OC)CC[NH2+]C)OC)O C1(=C(C=C(C=C1OC)CC[NH2+]C)OC)O is major microspecies at pH 7.3. It is also related to or classified as ammonium ion derivative .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2O)C4=CC=C(O)C=C4)C(OC)=O O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2O)C4=CC=C(O)C=C4)C(OC)=O is Scutellarin methyl ester. It is also related to or classified as glucosiduronic acid , flavonoids .
The molecule [H]C(=O)c1ccc(O)c(OCC)c1 [H]C(=O)c1ccc(O)c(OCC)c1 is A member of the class of benzaldehydes that is vanillin in which the methoxy group is replaced by an ethoxy group. It has the role of antioxidant . It has the role of flavouring agent . Its functional parent is vanillin .  It is also related to or classified as phenols  . It is also related to or classified as benzaldehydes , aromatic ether .
The molecule CC[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@@]2(C#C)O)CCC4=CC(=O)CC[C@@H]34 is a 17alpha-hydroxy steroid and a terminal acetylenic compound. It derives from a norgestrel. It is an enantiomer of a levonorgestrel.
The molecule C1C(=O)O[C@@](CC[C@@H]1C(=C)C)(O)C C1C(=O)O[C@@](CC[C@@H]1C(=C)C)(O)C is A (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one in which the stereocentre at position 7 has S-configuration. Its functional parent is (1R,4S)-1-hydroxylimonen-2-one . It is also related to or classified as (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one  .
The molecule [H]C(C[NH2+]CCNS(=O)(=O)C1=CC=CC2=C1C=C[NH+]=C2)=C([H])C1=CC=C(Br)C=C1 [H]C(C[NH2+]CCNS(=O)(=O)C1=CC=CC2=C1C=C[NH+]=C2)=C([H])C1=CC=C(Br)C=C1 is an organic cation obtained by protonation of the isoquinoline and secondary amino functions of N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide. It is a conjugate acid of N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O1C2C(O)(C(O)C3=C1C=4CC(OC4C=C3)C(CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)=C)C=6C(OC2)=CC(OC)=C(OC)C6 O1C2C(O)(C(O)C3=C1C=4CC(OC4C=C3)C(CO[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO)=C)C=6C(OC2)=CC(OC)=C(OC)C6 is 12-Dihydrodalbinol O-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as rotenoid .
The molecule [Au+3] [Au+3] is gold(3+).  It is also related to or classified as monoatomic trication  . It is also related to or classified as gold cation , elemental gold .
The molecule CC[C@H]1C[C@H]2C[C@@]3([C@H]1[NH+](C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC is an ammonium ion derivative resulting from the protonation of the tertiary amino group of (-)-voacangine. The major species at pH 7.3. It is a conjugate acid of a (-)-voacangine.
The molecule [H][C@]12CC[C@H](OC(C)=O)C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]2(OC(C)=O)C#C [H][C@]12CC[C@H](OC(C)=O)C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]2(OC(C)=O)C#C is ethynodiol diacetate. It has the role of contraceptive drug . It has the role of synthetic oral contraceptive . It has the role of estrogen receptor modulator . Its functional parent is ethynodiol .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as steroid ester .
The molecule CN1C=C(N=C1)CC(=O)O is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1-methyl-1H-imidazol-4-yl group. It has a role as a metabolite and a GABA agonist. It is a member of imidazoles and a monocarboxylic acid. It derives from an acetic acid. It is a conjugate acid of a 1-methyl-4-imidazoleacetate.
The molecule C[C@@H](O)[C@H]([NH3+])C(O)=O C[C@@H](O)[C@H]([NH3+])C(O)=O is the L-enantiomer of threoninium. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of L-threonine . It is also related to or classified as threoninium  .
The molecule ONC1=CC=C(C=C1)C([O-])=O ONC1=CC=C(C=C1)C([O-])=O is A benzoate that is the conjugate base of 4-(hydroxyamino)benzoic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3. It is also related to or classified as benzoates .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)O)OC)O is a disaccharide derivative consisting of alpha-L-rhamnose having a 3,6-di-O-methyl-beta-D-glucosyl residue attached at the 4-position; corresponds to the carbohydrate portion of synthetic antigens containing the Mycobacterium leprae-specific epitope.
The molecule C(C(O)=O)C/C=C\C/C=C\C/C=C\C\C=C/C=C/[C@@H](C/C=C\CC)OO C(C(O)=O)C/C=C\C/C=C\C/C=C\C\C=C/C=C/[C@@H](C/C=C\CC)OO is A docosanoid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 17R. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid .  It is also related to or classified as hydroperoxy polyunsaturated fatty acid  . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as docosanoid .
The molecule N1C2=C(C3=C1C=CC(=C3)Br)CC(NC4=C2N=CC=C4)=O N1C2=C(C3=C1C=CC(=C3)Br)CC(NC4=C2N=CC=C4)=O is an organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively. It has the role of Wnt signalling activator . It has the role of EC 2.7.11.26 (tau-protein kinase) inhibitor . It is also related to or classified as lactam  . It is also related to or classified as organobromine compound  . It is also related to or classified as organic heterotetracyclic compound , organonitrogen heterocyclic compound .
The molecule CCCC(=C)C is an alkene that is pent-1-ene carrying a methyl group at position 2. It has a role as a human metabolite. It is an alkene and a volatile organic compound. It derives from a hydride of a pentane.
The molecule C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C([C@H](C1)O)(C)C)[H])(CC[C@@]4([C@H](C)CC/C(/C(C)C)=C/C)[H])C)C)C C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C([C@H](C1)O)(C)C)[H])(CC[C@@]4([C@H](C)CC/C(/C(C)C)=C/C)[H])C)C)C is A tetracyclic triterpenoid that is (24Z)-24-ethylidenelanost-8-ene substituted by a hydroxy group at the 3beta position. It has the role of fungal metabolite . Its functional parent is lanosterol . 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 O1[C@@H](CCC2=C1C=C(O)C(=C2OC)C)C3=CC=CC=C3 O1[C@@H](CCC2=C1C=C(O)C(=C2OC)C)C3=CC=CC=C3 is 7-Hydroxy-5-methoxy-6-methylflavan. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule CCC(=O)/C=C/C=C\\C[C@H](/C=C/C=C/C=C\\[C@H](CCCC(=O)O)O)O is a nonclassic icosanoid that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid carrying two hydroxy groups at positions 5 and 12 as well as an oxo group at position 18. It has a role as a human xenobiotic metabolite. It is a nonclassic icosanoid, a long-chain fatty acid, an oxo fatty acid, an enone and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a 18-oxoresolvin E1(1-).
The molecule [O-]C(C[C@@H](CC)O)=O [O-]C(C[C@@H](CC)O)=O is A (3R)-3-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of (R)-3-hydroxypentanoic acid. The major species at pH 7.3. It is also related to or classified as short-chain fatty acid anion  . It is also related to or classified as (3R)-3-hydroxy fatty acid anion  .
The molecule C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCC(=O)O)O is a 1-O-acyl-sn-glycero-3-phosphocholine obtained by formal condensation of one of the carboxy groups of azelaic acid with the 1-hydroxy group of sn-glycero-3-phosphocholine. It has a role as a plant metabolite. It derives from a nonanedioic acid.
The molecule COC1=CC(C=NNC(=O)C2=CC=C3OCOC3=C2)=CC=C1OCC4=CC=CC=C4 COC1=CC(C=NNC(=O)C2=CC=C3OCOC3=C2)=CC=C1OCC4=CC=CC=C4 is A hydrazone obtained by formal condensation of the carboxy group of 1,3-benzodioxolane-5-carboxylic acid with the hydrazino group of 4'-benzyloxy-3'-methoxybenzylidene hydrazide. It has the role of formyl peptide receptor agonist .   It is also related to or classified as hydrazone  . It is also related to or classified as monomethoxybenzene , benzodioxoles , benzyl ether .
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(C[C@@H](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(C[C@@H](CC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A short-chain (3R)-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R)-hydroxypentanoyl-CoA; major species at pH 7.3. It is also related to or classified as short-chain (R)-3-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as 3-hydroxypentanoyl-CoA(4-)  .
The molecule C([C@@H]([C@H](C(=O)O)O)O)C(=O)C(=O)O is an oxo dicarboxylic acid that is derived from 4-deoxy-D-glucaric acid by oxidation of the hydroxy group at position 5 to give the corresponding ketone. It is a 2-hydroxydicarboxylic acid, an oxo dicarboxylic acid, a 2-hydroxy carboxylic acid and a 3-hydroxy carboxylic acid. It derives from a D-glucaric acid. It is a conjugate acid of a 5-dehydro-4-deoxy-D-glucarate(1-).
The molecule OC(=O)CCCCCCC/C=C\CCCCCCC#C OC(=O)CCCCCCC/C=C\CCCCCCC#C is Oleic acid alkyne. It is also related to or classified as long-chain fatty acid  .
The molecule [O-]C(=O)C/C=C/C=C\CCCCCC [O-]C(=O)C/C=C/C=C\CCCCCC is A polyunsaturated fatty acid anion that is the conjugate base of (3E,5Z)-dodecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as medium-chain fatty acid anion  . It is also related to or classified as polyunsaturated fatty acid anion .
The molecule O([C@@H]1C(O)[C@@H](OC[C@H]1O)OC2=C(C(O)=C3C(OC(=CC3=O)C4=CC=CC=C4)=C2)C)[C@@H]5OC[C@@H](O)[C@H](O)C5O O([C@@H]1C(O)[C@@H](OC[C@H]1O)OC2=C(C(O)=C3C(OC(=CC3=O)C4=CC=CC=C4)=C2)C)[C@@H]5OC[C@@H](O)[C@H](O)C5O is 5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)[C@@H]5CC6=CC[C@@]7([C@](CC[C@]8([C@]7(C[C@]9([C@@]8([C@@H]([C@@]%10(NC[C@H](CC%10)C)O9)C)[H])[H])[H])C)([C@]6(CC5)C)[H])[H] O([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)[C@@H]5CC6=CC[C@@]7([C@](CC[C@]8([C@]7(C[C@]9([C@@]8([C@@H]([C@@]%10(NC[C@H](CC%10)C)O9)C)[H])[H])[H])C)([C@]6(CC5)C)[H])[H] is A steroid alkaloid that consists of tomatine which has undergone formal dehydrogenation across positions 5 and 6. Found in tomatoes. It has the role of antifungal agent . It has the role of phytotoxin . It has the role of plant metabolite . Its functional parent is tomatine . It is also related to or classified as glycoside  . It is also related to or classified as steroid alkaloid , tetrasaccharide derivative , alkaloid antibiotic .
The molecule CC1=C(C(=C(C=C1)O)O)CCC2[C@@H]3CCC([C@]3(CCC2=O)C)O is a seco-androstane that is 9,10-secoandrostane which is substituted by hydroxy groups at position 3, 4 and 17 and an oxo group at position 9 and in which the A-ring is aromatic. It has a role as a bacterial metabolite. It is a seco-androstane, a cyclic ketone and a member of catechols.
The molecule [H]C(CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)=C([H])C1=CC=C(Br)C=C1 [H]C(CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)=C([H])C1=CC=C(Br)C=C1 is A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor. It has the role of EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor .  It is also related to or classified as sulfonamide  . It is also related to or classified as isoquinolines , bromobenzenes , secondary amino compound , olefinic compound .
The molecule [C@@H](CC)(/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO [C@@H](CC)(/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO is A hydroperoxyicosapentaenoic acid that is (5Z,8Z,11Z,14Z,16E)-icosapentaenoic acid in which the pro-R hydrogen at position 18 has been replaced by a hydroperoxy group. One of the two stereoisomers formed when acetylated COX2 oxidises the omega-3 fatty acid EPA. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid . It is also related to or classified as hydroperoxyicosapentaenoic acid .
The molecule COc1cc(cc(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1[O-] COc1cc(cc(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1[O-] is the conjugate base of laricitrin arising from deprotonation of the 3-OH group; major species at pH 7.3. It is also related to or classified as flavonol oxoanion  .
The molecule C[C@@H](O)[C@H]([NH3+])C([O-])=O C[C@@H](O)[C@H]([NH3+])C([O-])=O is zwitterionic form of L-threonine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule C1CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)=O C1CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)=O is (21S)-21-acetyl-apo-melianone.  It is also related to or classified as epoxide  . It is also related to or classified as acetate ester  . It is also related to or classified as pentacyclic triterpenoid , organic heterohexacyclic compound .
The molecule C1=CC(=CC(=C1)OC[C@H](CO)O)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N is an organofluorine compound that is 4-benzoylpyrazole in which the phenyl is substituted at position 3 by a (2,3-dihydroxypropyl)oxy group and in which the pyrazole moiety is substituted at positions 1 and 5 by a 4-fluorophenyl group and an amino group, respectively. It has a role as a protein kinase inhibitor. It is a benzoylpyrazole, an organofluorine compound, a primary amino compound and a member of propane-1,2-diols. It derives from a monofluorobenzene and a 4-benzoylpyrazole.
The molecule S(C(=O)C/C=C/C=C\CCCCCC)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O S(C(=O)C/C=C/C=C\CCCCCC)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O is A (3E,5Z)-dienoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of (3E,5Z)-dodecadienoyl-CoA; major species at pH 7.3. It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as (3E,5Z)-dienoyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule [NH3+][C@@H](CC1=CC(=O)C(=O)C=C1)C([O-])=O [NH3+][C@@H](CC1=CC(=O)C(=O)C=C1)C([O-])=O is zwitterionic form of L-dopaquinone arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)C(=O)O is a tetracyclic triterpenoid that is lanost-8-en-21-oic acid substituted by a methylidene group at position 24 and an oxo group at position 3. It has been isolated from Poria cocos. It has a role as a fungal metabolite. It is a monocarboxylic acid, a tetracyclic triterpenoid and a cyclic terpene ketone. It derives from a hydride of a lanostane.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C([C@H]3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=CC2O)COC(=O)/C=C/C5=CC=C(O)C=C5 O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C([C@H]3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=CC2O)COC(=O)/C=C/C5=CC=C(O)C=C5 is (2S)-5,7,3',4'-Tetrahydroxyflavanone 3'-(6-p-coumaroylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoid  .
The molecule CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C is a penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics. It has a role as an allergen. It derives from a penicillanic acid. It is a conjugate base of a 6-aminopenicillanate. It is a tautomer of a 6-aminopenicillanic acid zwitterion.
The molecule C(O)(C(=O)CBr)=O C(O)(C(=O)CBr)=O is A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is replaced by bromine. Synthetic brominated derivative and structural analog of pyruvic acid. Highly reactive alkylating agent. Anti-cancer drug. It has the role of alkylating agent . It has the role of antineoplastic agent . Its functional parent is pyruvic acid . It is a conjugate acid of 3-bromopyruvate . It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as organobromine compound  .
The molecule C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)C)[Mg-2]735)[C-](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C is the cyclic tetrapyrrole anion that is bacteriochlorophyll a protonated to pH 7.3. It is also related to or classified as cyclic tetrapyrrole anion .
The molecule [Au+] [Au+] is gold(1+).  It is also related to or classified as monoatomic monocation  . It is also related to or classified as gold cation , elemental gold .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=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 a 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxodotriacontanoyl-CoA (3-oxolacceroyl-CoA); major species at pH 7.3. It is a 3-oxo-fatty acyl-CoA(4-), an 11,12-saturated fatty acyl-CoA(4-) and an ultra-long-chain fatty acyl-CoA(4-). It is a conjugate base of a 3-oxodotriacontanoyl-CoA.
The molecule [C@@H](CC)(C(/C=C/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)O [C@@H](CC)(C(/C=C/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)O is A member of the class of resolvins that is (5Z,8Z,11Z,13E,15E)-icosapentaenoic acid which is substituted at positions 17 and 18 by hydroxy groups (the 17,18R) stereoisomer). It has the role of anti-inflammatory agent .  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 resolvin , hydroxy polyunsaturated fatty acid .
The molecule O1C=2C=C(C=CC(=O)NCCCCNCCCNC(=O)C=CC3=CC=C1C=C3)C=CC2OC O1C=2C=C(C=CC(=O)NCCCCNCCCNC(=O)C=CC3=CC=C1C=C3)C=CC2OC is Cadabicine methyl ether. It is also related to or classified as keratan 6'-sulfate , azamacrocycle .
The molecule C1[C@H](O)[C@](C(=O)[O-])(C)[C@]2([C@@](C1)(C)[C@]3(CC[C@@]4([C@](C3=CC2)(C)CC[C@]5([C@]4(CC[C@@H]5C(C)C)[H])C)C)[H])[H] C1[C@H](O)[C@](C(=O)[O-])(C)[C@]2([C@@](C1)(C)[C@]3(CC[C@@]4([C@](C3=CC2)(C)CC[C@]5([C@]4(CC[C@@H]5C(C)C)[H])C)C)[H])[H] is major microspecies at pH 7.3. Its functional parent is motiol . It is also related to or classified as triterpenoid  .
The molecule [O-]Br(=O)(=O)=O is a monovalent inorganic anion obtained by deprotonation of perbromic acid. It is a bromine oxoanion and a monovalent inorganic anion. It is a conjugate base of a perbromic acid.
The molecule N[C@@H](CCSC(F)(F)F)C(O)=O N[C@@H](CCSC(F)(F)F)C(O)=O is an L-alpha-amino acid, methionine, with the S-methyl group trifluoro-substituted. It is also related to or classified as organofluorine compound  . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-methionine derivative .
The molecule [NH3+][C@@H]1[C@@H](O)C(O)O[C@H](COP([O-])([O-])=O)[C@H]1O [NH3+][C@@H]1[C@@H](O)C(O)O[C@H](COP([O-])([O-])=O)[C@H]1O is an organophosphate oxoanion obtained from 3-amino-3-deoxy-6-O-phosphono-D-glucopyranose by removal of both protons from the phosphate group and protonation of the amino group. The major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule CC1=C(C(=O)C2=C(C1=O)C(=CC(=C2)O)[O-])OC is an organic anion that is the conjugate base of 2-O,3-dimethylflaviolin, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 2-O,3-dimethylflaviolin.
The molecule [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(CC[C@H](C)CN5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(CC[C@H](C)CN5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O is A steroid alkaloid that is tomatidine in which the hydroxy group at position 3 is linked to lycotetraose, a tetrasaccharide composed of two units of D-glucose, one unit of D-xylose, and one unit of D-galactose. It has the role of antifungal agent . It has the role of phytotoxin . It has the role of immunological adjuvant . Its functional parent is tomatidine .     It is also related to or classified as glycoside  . It is also related to or classified as glycoalkaloid , steroid alkaloid , tetrasaccharide derivative , alkaloid antibiotic .
The molecule CC(C)(COP([O-])([O-])=O)C(O)C(=O)NCCC(=O)NCCS CC(C)(COP([O-])([O-])=O)C(O)C(=O)NCCC(=O)NCCS is pantetheine 4'-phosphate(2-). It has the role of cofactor . It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as phosphopantetheine anion .
The molecule C[NH2+]CCC1=CC(OC)=C(OC)C(OC)=C1 C[NH2+]CCC1=CC(OC)=C(OC)C(OC)=C1 is A secondary ammonium ion that is the conjugate acid of N-methylmescaline resulting from the protonation of the secondary amino group; Major microspecies at pH 7.3. Its functional parent is mescalinium . It is a conjugate acid of N-methylmescaline . It is also related to or classified as secondary ammonium ion  .
The molecule CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)OC)C is a member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 3, a methoxy group at position 9 and a prenyl group at position 10. Isolated from Erythrina glauca and Erythrina stricta, it exhibits anti-HIV-1 activity. It has a role as a metabolite and an anti-HIV-1 agent. It is a member of pterocarpans, a member of phenols and an aromatic ether.