anonymous041/ChEBI-Augmented huggingface dataset:
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@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(C[C@H]([C@@]7([C@H]6CC([C@H](C7)OC(=O)/C(=C/CC[C@@](C)(C=C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C)OC(=O)/C(=C/CC[C@](C)(C=C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)C)OC(=O)/C(=C/CC[C@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)/C)O)O)/C)O)O)/C)(C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)C)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O is a triterpenoid saponin isolated from the roots of of the Madagascan plant Albizia gummifera and has been shown to exhibit cytotoxicity against human ovarian cancer cell line. It has a role as an antineoplastic agent and a plant metabolite. It is an enoate ester, a pentacyclic triterpenoid and a triterpenoid saponin. It derives from a hydride of an oleanane.
The molecule [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4(N(CC=C4COC([C@]([C@@H](C2)C)(CO)O)=O)CC3)[H])=O [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4(N(CC=C4COC([C@]([C@@H](C2)C)(CO)O)=O)CC3)[H])=O is 18-hydroxyjacobine. Its functional parent is jacobine . It is also related to or classified as pyrrolizine alkaloid .
The molecule C12=CC(=C(C=C1O[C@@]3([C@]2(COC4=C3C=CC(=C4)O)[H])[H])O)OC C12=CC(=C(C=C1O[C@@]3([C@]2(COC4=C3C=CC(=C4)O)[H])[H])O)OC is A member of the class of pterocarpans that is (6aR,11aR)-3,9-dihydroxypterocarpan in which the hydrogen at position 8 has been replaced by a methoxy group. Its functional parent is (6aR,11aR)-3,9-dihydroxypterocarpan . It is also related to or classified as pterocarpans  . It is also related to or classified as aromatic ether , organic heterotetracyclic compound .
The molecule CC1=CC(=O)[C@@H](C1(C)C)CC(=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 is the acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA. Major species at pH 7.3. It is a conjugate base of a [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA.
The molecule CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1N(C)c1ccccc21 CN1CCC2(C1Nc1ccccc21)C12CCN(C)C1N(C)c1ccccc21 is calycanthidine. Its functional parent is chimonanthine . It is also related to or classified as aminal  . It is also related to or classified as organonitrogen heterocyclic compound , calycanthaceous alkaloid .
The molecule [H][C@]12N=C(\C(C)=C3/N=C(/C=C4\N=C(\C(C)=C5/N[C@]1(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O [H][C@]12N=C(\C(C)=C3/N=C(/C=C4\N=C(\C(C)=C5/N[C@]1(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O is hydrogenobyrinic acid a,c-diamide. Its functional parent is hydrogenobyrinic acid . It is a conjugate acid of hydrogenobyrinic acid a,c-diamide(4-) . It is a conjugate acid of hydrogenobyrinic acid a,c-diamide(2-) . It is also related to or classified as precorrin .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C[C@@H]([C@@H]1O)O)[H])[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C[C@@H]([C@@H]1O)O)[H])[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C is 6-deoxo-28-norcastasterone. It is also related to or classified as a C27-steroid  .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as phytosteroid , 2alpha-hydroxy steroid , 22-hydroxy steroid , 23-hydroxy steroid .
The molecule CC(=C)C1CCC(=CC1)CO is a limonene monoterpenoid consists of a cyclohexene ring substituted by a hydroxymethyl and a prop-1-en-2-yl group at positions 1 and 4 respectively. It is a constituent of a variety of essential oils including lavender. It has a role as a plant metabolite and a volatile oil component.
The molecule OC[C@H]1OC(=O)[C@@H](NC(=O)CO)[C@@H](O)[C@@H]1O OC[C@H]1OC(=O)[C@@H](NC(=O)CO)[C@@H](O)[C@@H]1O is N-glycoloyl-D-mannosaminolactone. Its functional parent is 2-amino-2-deoxy-D-mannonic acid . It is also related to or classified as N-acyl-D-mannosaminolactone  .
The molecule CCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C is an O-acylcarnitine having palmitoyl (hexadecanoyl) as the acyl substituent. It has the role of metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as O-acylcarnitine .
The molecule C1=C([C@@]2(CC[C@@]2([C@@]3([C@]1(CC(C3)(C)C)[H])[H])C)[H])C C1=C([C@@]2(CC[C@@]2([C@@]3([C@]1(CC(C3)(C)C)[H])[H])C)[H])C is A tricyclic sesquiterpene with formula C15H24 which is biosynthesised from farnesyl diphosphate by a diterpene cyclase enzyme from Dictyostelium discoideum. It is also related to or classified as sesquiterpene  . It is also related to or classified as polycyclic olefin , carbotricyclic compound .
The molecule CCCCCCCCCCCCCCCCCCCCCCC(C)O CCCCCCCCCCCCCCCCCCCCCCC(C)O is A secondary fatty alcohol that is tetracosane substituted by a hydroxy group at position 2. It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tetracosanol .
The molecule C12=C(N=C(C=N1)[C@@H]([C@@H](C)O)O)C(NC(=N2)N)=O C12=C(N=C(C=N1)[C@@H]([C@@H](C)O)O)C(NC(=N2)N)=O is A biopterin in which the 1,2-dihydroxypropyl group has (1S,2R)-configuration. It is also related to or classified as biopterin  .
The molecule C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)[O-])[N+]#[C-] C1(=CNC2=C1C=CC=C2)C[C@@H](C(=O)[O-])[N+]#[C-] is (2S)-3-(1H-indol-3-yl)-2-isocyanopropanoate. Its functional parent is L-tryptophan . It is also related to or classified as organic molecular entity .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCC[C@H](CC(=O)O)O)O)OC(=O)C2=CNC3=CC=CC=C32 is an (omega-1)-hydroxy fatty acid ascaroside that is bhas#28 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid, a 4-O-(1H-indol-3-ylcarbonyl)ascaroside and a monocarboxylic acid. It derives from a bhas#28 and a (3R,15R)-3,15-dihydroxypalmitic acid.
The molecule CCC1(CC)CCNC1=O CCC1(CC)CCNC1=O is A pyrrolidin-2-one substituted by two ethyl groups at position 3. It has the role of geroprotector . It has the role of anticonvulsant . It is also related to or classified as pyrrolidin-2-ones  .
The molecule CCCC[C@H](NC(=O)CCC(O)=O)[P@](O)(=O)Oc1ccccc1 CCCC[C@H](NC(=O)CCC(O)=O)[P@](O)(=O)Oc1ccccc1 is A  dicarboxylic acid monoamide that is a hapten and transition state analogue containing phenylphosphonate and succinoylamino moieties. It has the role of hapten . Its functional parent is succinic acid . It is also related to or classified as dicarboxylic acid monoamide , organic phosphonate .
The molecule C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C is a glycerophospholipid that is sn-glycerol 1-phosphate carrying two O-phytanyl groups at positions 2 and 3. It derives from a 2,3-di-O-phytanyl-sn-glycerol. It is a conjugate acid of a 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate(2-).
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C[C@@H]([C@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C[C@@H]([C@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C is 6alpha-hydroxy-28-nortyphasterol. It is also related to or classified as a C27-steroid  . It is also related to or classified as phytosteroid , 3alpha-sterol , 6alpha-hydroxy steroid , 22-hydroxy steroid , 23-hydroxy steroid .
The molecule [H][C@@]12CC[C@H](C)\C1=C\[C@@]1(C)CCC(C)(C)[C@]1([H])C\C=C(C)/C2 [H][C@@]12CC[C@H](C)\C1=C\[C@@]1(C)CCC(C)(C)[C@]1([H])C\C=C(C)/C2 is A tricyclic diterpene with formula C20H32 which is produced by a diterpene cyclase gene expressed in an engineered Streptomyces host. It is also related to or classified as diterpene  . It is also related to or classified as polycyclic olefin , carbotricyclic compound .
The molecule O=C(OC)CCC(CCCCCC(CC)C)C O=C(OC)CCC(CCCCCC(CC)C)C is methyl 4,10-dimethyldodecanoate. It is also related to or classified as fatty acid methyl ester  .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)O[C@H](O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)O[C@H](O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A branched amino tetrasaccharide comprising a linear trisaccharide chain of alpha-N-acetylneuraminyl, beta-D-galactosyl and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->3) and (1->3), to the N-acetyl-alpha-D-galactosamine residue at the reducing end of which is also linked (1->6) an N-acetyl-beta-D-glucosamine residue. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino tetrasaccharide .
The molecule C(\[N+]#[C-])=C/C1=CC=C(C=C1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)NC(C)=O)O)O C(\[N+]#[C-])=C/C1=CC=C(C=C1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)NC(C)=O)O)O is an isocyanide that is the 4-acetamido-4,6-dideoxy-beta-L-galactopyranoside of p-[(E)-2-isocyanovinyl]phenol. Produced by the gram-negative insect pathogens, Xenorhabdus nematophila and Photorhabdus luminescens, it is a potent nanomolar-level inhibitor of phenoloxidase, a key component of the insect's innate immune system. It has the role of EC 1.14.18.1 (tyrosinase) inhibitor . It has the role of bacterial metabolite .  It is also related to or classified as isocyanide  . It is also related to or classified as acetamides , olefinic compound .
The molecule C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)O is a member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the meta-position. It is a member of cinnamic acids, a member of styrenes and a member of (trifluoromethyl)benzenes. It derives from a trans-cinnamic acid.
The molecule O=C1C=c2cc[nH]c2=CC1=O O=C1C=c2cc[nH]c2=CC1=O is indole-5,6-quinone. It has the role of mouse metabolite . It is also related to or classified as indoledione , orthoquinones .
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](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H](C(O4)O)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)COS(=O)(=O)O)CO)O)O)O)O)O is an amino pentasaccharide in which an alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-6-O-sulfo-D-glucosaminyl unit and a D-galactosyl residue are linked respectively beta(1->6) and beta(1->3) to an N-acetyl-D-galactosamine residue. It is an oligosaccharide sulfate and an amino pentasaccharide.
The molecule O1CC=2C(=C(O)C(=C(O)C2C)C/C=C(/CCC([O-])=O)\C)C1=O O1CC=2C(=C(O)C(=C(O)C2C)C/C=C(/CCC([O-])=O)\C)C1=O is major microspecies at pH 7.3. Its functional parent is mycophenolate . It is also related to or classified as monocarboxylic acid anion  .
The molecule O(P(OP(OC[C@H]([C@H]([C@H](C([H])=O)O)O)O)(=O)[O-])(=O)[O-])C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C(N=C(C=C2)N)=O O(P(OP(OC[C@H]([C@H]([C@H](C([H])=O)O)O)O)(=O)[O-])(=O)[O-])C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C(N=C(C=C2)N)=O is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of CDP-D-ribose. Major microspecies at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule CCC(O)C(C)\C=C(\C)/C=C/C1=C(C)C(O)=C(C)C(=O)O1 CCC(O)C(C)\C=C(\C)/C=C/C1=C(C)C(O)=C(C)C(=O)O1 is A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (1Z,3Z,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-dien-1-yl groups, respectively. It is a polyketide isolated from the marine actinomycete Salinispora pacifica. It has the role of marine metabolite . It has the role of bacterial metabolite . It is also related to or classified as diol  . It is also related to or classified as polyketide  . It is also related to or classified as heteroaryl hydroxy compound , 2-pyranones , olefinic compound .
The molecule [H][C@]12CC[C@]3(C)C\C=C(\CC\C=C(C)\CC[C@@]3([H])[C@]1(C)CC[C@@H]2C(C)=C)C(O)=O [H][C@]12CC[C@]3(C)C\C=C(\CC\C=C(C)\CC[C@@]3([H])[C@]1(C)CC[C@@H]2C(C)=C)C(O)=O is A sesterterpenoid with formula C25H38O2 which is isolated from the fungus Emericella variecolor. It has the role of Aspergillus metabolite . It is a conjugate acid of stellatate . It is also related to or classified as monocarboxylic acid , sesterterpenoid , polycyclic olefin , carbotricyclic compound .
The molecule O1C(=O)C([N+]#[C-])=CC2=C1C=C(C(=C2)O)O O1C(=O)C([N+]#[C-])=CC2=C1C=C(C(=C2)O)O is A hydroxycoumarin that is coumarin substituted by an isocyano group at position 3 and hydroxy groups at positions 6 and 7. It has the role of iron chelator . It has the role of bacterial metabolite . It is also related to or classified as isocyanide  . It is also related to or classified as hydroxycoumarin .
The molecule C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)O[C@](O3)(O2)C7=CC=CC=C7)C(=C)C is a daphnane-type orthoester diterpene with potential cholesterol-lowering activity, found exclusively in plants of the family Thymelaeaceae. It is a diterpene alkaloid, an ortho ester, an epoxide and a tertiary alpha-hydroxy ketone. It derives from a daphnane.
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a phosphatidylserine 38:5 that is the conjugate base of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic. It is a phosphatidylserine 38:5(1-) and a 1-acyl-2-arachidonoyl-sn-glycero-3-phosphoserine(1-). It is a conjugate base of a 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine.
The molecule F[Fe--](F)(F)F F[Fe--](F)(F)F is tetrafluoroferrate(2-). It is also related to or classified as iron coordination entity , perfluorometallate anion .
The molecule C=1(C(=C(C(=C(C1C)O)C(=O)[O-])CO)C)O C=1(C(=C(C(=C(C1C)O)C(=O)[O-])CO)C)O is major microspecies at pH 7.3. It is also related to or classified as dihydroxybenzoate  .
The molecule [O-][n+]1ccccc1 [O-][n+]1ccccc1 is the pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil. It has the role of drug metabolite . It is also related to or classified as pyridine N-oxides .
The molecule CC(CC/C=C(/C)\\CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)CCOP(=O)([O-])OP(=O)([O-])OC1[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[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)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)NC(=O)C)O)NC(=O)C is the dolichyl diphosphooligosaccharide(2-) species that is the dianion formed by loss of protons from the diphospho linkage in alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol); major microspecies at pH 7.3. It is a conjugate base of an alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol).
The molecule O(P(OP(OC[C@H]([C@H](C(CO)=O)O)O)(=O)[O-])(=O)[O-])C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C(N=C(C=C2)N)=O O(P(OP(OC[C@H]([C@H](C(CO)=O)O)O)(=O)[O-])(=O)[O-])C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C(N=C(C=C2)N)=O is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of CDP-D-ribulose. Major microspecies at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule O=C1C=CC=2[C@]34O[C@@]5(OC(C)(C)[C@H]([C@H]5O)C)[C@@H](C)[C@H]([C@@]3(C)C=CC2[C@]1(CCC(=O)C)C)CC4 O=C1C=CC=2[C@]34O[C@@]5(OC(C)(C)[C@H]([C@H]5O)C)[C@@H](C)[C@H]([C@@]3(C)C=CC2[C@]1(CCC(=O)C)C)CC4 is Blazeispirol Z. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O is a D-ribonucleotide having nicotinic acid as the nucleobase. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a nicotinate D-ribonucleotide(2-).
The molecule O=C([O-])[C@@H]([N+]#[C-])CC=1C=CC(=CC1)O O=C([O-])[C@@H]([N+]#[C-])CC=1C=CC(=CC1)O is (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoate. Its functional parent is L-tyrosine . It is also related to or classified as organic molecular entity .
The molecule CC/C=C\CCOC(OC)=O CC/C=C\CCOC(OC)=O is A carbonate ester that is dimethyl carbonate in which one of the methyl groups has been replaced by a (Z)-hex-3-en-1-yl group. It has a floral scent and is used in the production of fruit or vegetable-like flavour additives. It has the role of flavouring agent . Its functional parent is (Z)-hex-3-en-1-ol . It is also related to or classified as carbonate ester , olefinic compound .
The molecule C1[C@H]([C@@H]([C@H](C1=O)C/C=C\\CCCC(=O)O)/C=C/[C@H](CCCCCO)O)O is a prostaglandin E derivative that is prostaglandin E2 in which one of the methyl hydrogens at position 20 has been replaced by a hydroxy group. It is a prostaglandins E, a secondary allylic alcohol, a primary alcohol and a triol. It derives from a prostaglandin E2. It is a conjugate acid of a 20-hydroxyprostaglandin E2(1-).
The molecule O[As]([O-])([O-])=O O[As]([O-])([O-])=O is an arsenate ion resulting from the removal of two protons from arsenic acid. It is a conjugate acid of arsenate(3-) . It is also related to or classified as arsenate ion .
The molecule CC(C)CC(N)C(O)=O.NC(Cc1ccccc1)C(O)=O.NC(Cc1ccc(O)cc1)C(O)=O.NC(Cc1c[nH]c2ccccc12)C(O)=O CC(C)CC(N)C(O)=O.NC(Cc1ccccc1)C(O)=O.NC(Cc1ccc(O)cc1)C(O)=O.NC(Cc1c[nH]c2ccccc12)C(O)=O is Amino acid(Tyr-, Trp-, Phe-, Leu-). It is also related to or classified as organic molecular entity .
The molecule [H][C@]12CCC[C@@H](C)[C@]1(C)[C@H]1[C@@H](CC2)C1(C)C [H][C@]12CCC[C@@H](C)[C@]1(C)[C@H]1[C@@H](CC2)C1(C)C is aristolane. It is also related to or classified as sesquiterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule [Ru] [Ru] is ruthenium atom. It is also related to or classified as iron group element atom , platinum group metal atom .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C[C@@H](C1)O)[H])[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C[C@@H](C1)O)[H])[H])(CC[C@@]4([C@@H]([C@H]([C@@H](CC(C)C)O)O)C)[H])[H])C)[H])C is 6-deoxo-28-nortyphasterol. It is also related to or classified as a C27-steroid  . It is also related to or classified as phytosteroid , 3alpha-sterol , 22-hydroxy steroid , 23-hydroxy steroid .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCCC)O)C(=O)[O-] is a C82 alpha-mycolate having a C56 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra. It has a role as a bacterial metabolite. It is an an alpha-mycolate and a hydroxy fatty acid anion. It is a conjugate base of a (2R)-2-[(1R)-1-hydroxy-20-{2-[10-(2-icosylcyclopropyl)decyl]cyclopropyl}icosyl]hexacosanoic acid.
The molecule O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)CC(=O)NC1=O O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)CC(=O)NC1=O is A pyrimidine ribonucleoside 5'-monophosphate that is the 6-oxo derivative of UMP. Its functional parent is barbituric acid . Its functional parent is uridine 5'-monophosphate . It is also related to or classified as pyrimidine ribonucleoside 5'-monophosphate .
The molecule [H][C@@]12CC[C@@]3([C@@H](C)CC[C@H]3C)C1=C[C@@]1(C)CCC(C)(C)[C@@]21[H] [H][C@@]12CC[C@@]3([C@@H](C)CC[C@H]3C)C1=C[C@@]1(C)CCC(C)(C)[C@@]21[H] is A spirocyclic diterpene with formula C20H32 which is produced by a diterpene cyclase gene expressed in an engineered Streptomyces host.  It is also related to or classified as diterpene  . It is also related to or classified as spiro compound , polycyclic olefin .
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(CCCCCCCCCCC/C=C\CCCC)=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(CCCCCCCCCCC/C=C\CCCC)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an octadecenoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of an octadecenoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (13Z)-octadecenoic acid. It is also related to or classified as octadecenoyl-CoA(4-)  .
The molecule S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C)CCCC(C1)=O)C)CC(C)C)C S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=C(C)CCCC(C1)=O)C)CC(C)C)C is Aspochalasin V. It has the role of fungal metabolite . It is also related to or classified as cytochalasin .
The molecule C(CCCCCCC)/C=C/C=O C(CCCCCCC)/C=C/C=O is A 2-undecenal in which the C=C bond has E configuration. It is also related to or classified as 2-undecenal  .
The molecule O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)N)O)NC(C)=O)[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(O)=O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)C(O)=O)OCCSSCCO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(O)=O)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(O)=O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)N)O)NC(C)=O)O)O)O)O)O)O O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)N)O)NC(C)=O)[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(O)=O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)C(O)=O)OCCSSCCO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(O)=O)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(O)=O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)N)O)NC(C)=O)O)O)O)O)O)O is an oligosaccharide derivative consisting of two 2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucosyl-(1->4)-alpha-D-galacturonosyl-(1->3)-alpha-D-galacturonosyloxy trisaccharide units linked via a dithiodiethyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881). It is also related to or classified as organic disulfide  . It is also related to or classified as oligosaccharide derivative .
The molecule COCC(=O)O is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group. It has a role as a human xenobiotic metabolite, an apoptosis inducer, a mutagen and an antineoplastic agent. It is a monocarboxylic acid and an ether. It derives from an acetic acid. It is a conjugate acid of a methoxyacetate.
The molecule [15OH2] is the radioactive isotope of oxygen with relative atomic mass 15.003065. The longest-lived oxygen radionuclide with half-life of 122.2 s.