anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@@H]3OP([O-])(=O)O[C@@H]3[C@@H]2O)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@@H]3OP([O-])(=O)O[C@@H]3[C@@H]2O)[C@@H](O)[C@H]1O is A nucleotide-sugar oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of ADP-alpha-D-ribose 1'',2''-cyclic phosphate; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C1C=CN=C1 C1C=CN=C1 is that one of the three tautomers of pyrrole which has the double bonds at positions 1 and 4. It is also related to or classified as pyrrole  .
The molecule O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)NC(=O)C)O[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)N)C O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)O)NC(=O)C)O[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)N)C is conjugate base of muramyl dipeptide. Major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C1=CC2=CC(=CN=C2C(=C1)O)O is a dihydroxyquinoline that is quinoline substituted by hydroxy groups at positions 3 and 8. Isolated from the centipede Scolopendra subspinipes, it exhibits cytotoxic activity against human tumour cell lines. It has a role as a metabolite and an antineoplastic agent. It is a quinoline alkaloid, a member of quinolines and a dihydroxyquinoline.
The molecule C(CON)[C@@H](C(=O)[O-])[NH3+] is an amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-canaline; major species at pH 7.3. It derives from a L-homoserine zwitterion. It is a tautomer of a L-canaline.
The molecule CCOC1=CC=C(C=C1)[Si](C)(C)CCCC2=CC(=C(C=C2)F)OC3=CC=CC=C3 is an organosilicon compound that is dimethylsilane in which one of the hydrogens attached to the silicon is replaced by a 4-ethoxyphenyl group, while the other is replaced by a 3-(4-fluoro-3-phenoxyphenyl)propyl group. It is an insecticide used to control soil-borne insects. It has a role as a pyrethroid ether insecticide. It is an organofluorine compound, an organosilicon compound and an aromatic ether. It derives from a 4-(trimethylsilyl)phenol.
The molecule [H+].OS([O-])(=O)=O.COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl [H+].OS([O-])(=O)=O.COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl is clopidogrel sulfate. It has the role of anticoagulant . It has the role of platelet aggregation inhibitor . It has the role of P2Y12 receptor antagonist . It is also related to or classified as azaheterocycle sulfate salt , organoammonium sulfate salt .
The molecule OSS[O-] OSS[O-] is disulfanediolate(1-). It is a conjugate acid of disulfanediolate(2-) . It is also related to or classified as sulfur oxoanion , inorganic disulfide .
The molecule CC(C)(C)OC(=O)CC[C@]12[C@H](C3=CC=CC=C3CN(C1=O)CC=C)OC(=N2)C4=CC=C(C=C4)OCCCO CC(C)(C)OC(=O)CC[C@]12[C@H](C3=CC=CC=C3CN(C1=O)CC=C)OC(=N2)C4=CC=C(C=C4)OCCCO is 3-[(3aS,10bS)-2-[4-(3-hydroxypropoxy)phenyl]-4-oxo-5-prop-2-enyl-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-3a-yl]propanoic acid tert-butyl ester. It is also related to or classified as tert-butyl ester  . It is also related to or classified as benzazepine  .
The molecule CC(C)(C)OC(=O)CC[C@@]1([C@H](OC(=N1)C2=CC=C(C=C2)OCCCO)C3=CC=CC=C3)C(=O)N CC(C)(C)OC(=O)CC[C@@]1([C@H](OC(=N1)C2=CC=C(C=C2)OCCCO)C3=CC=CC=C3)C(=O)N is 3-[(4R,5R)-4-carbamoyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-oxazol-4-yl]propanoic acid tert-butyl ester. Its functional parent is alpha-amino acid . It is also related to or classified as tert-butyl ester  . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(CO)(CO)[NH3+] C(CO)(CO)[NH3+] is major species at pH 7.3. Conjugated acid of CHEBI:45674. Published in DOI:10.1016/S1381-1177(00)00111-9. It is also related to or classified as two-alkyl ammonium ion  .
The molecule CCCSC1=NC(=CC2=CC=CS2)C(=O)N1C3=CC(=C(C=C3)F)Cl CCCSC1=NC(=CC2=CC=CS2)C(=O)N1C3=CC(=C(C=C3)F)Cl is 3-(3-chloro-4-fluorophenyl)-2-(propylthio)-5-(thiophen-2-ylmethylidene)-4-imidazolone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC[C@H](CN)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)[C@H](CC3CCCCC3)NC(=O)CNC(=O)[C@H](C)NC(=O)C4(CC5=CC=CC=C5C4)NC(=O)CN)O is a fifteen-membered glycopeptide comprising glycyl, 2-aminoindane-2-formyl, alanyl, glycyl, cyclohexylalanyl, (5R)-5-(beta-D-galactopyranosyloxy)lysyl, glycyl. alpha-glutamyl, glutaminyl, glycyl, prolyl, lysyl, glycyl, alpha-glutamyl and threonine residues coupled in sequence.
The molecule C1=CC(=CC=C1C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)O)O)O is a member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione which is substituted by a 4-hydroxyphenyl group at positions 3 and 6. It is a mushroom pigment isolated from several fungi species and acts as a smooth muscle stimulant, and exhibits anticoagulant, antibacterial and antineoplastic properties. It has a role as a fungal metabolite, an EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor, a biological pigment, an anticoagulant, an apoptosis inducer, an antineoplastic agent and an antibacterial agent. It is a member of dihydroxy-1,4-benzoquinones and a polyphenol. It is a conjugate acid of an atromentin(1-).
The molecule COC1=CC(=O)C(=CNNC(=O)C2=CC=CC=N2)C=C1 COC1=CC(=O)C(=CNNC(=O)C2=CC=CC=N2)C=C1 is N'-[(4-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-pyridinecarbohydrazide. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule [C@H]1([C@@H]([C@H](CO[C@H]1C/C(=C/C(OCCCCCCCCC(NC=2C(NC=3C2SSC3)=O)=O)=O)/C)C/C=C/[C@H]([C@H](C)O)C)O)O [C@H]1([C@@H]([C@H](CO[C@H]1C/C(=C/C(OCCCCCCCCC(NC=2C(NC=3C2SSC3)=O)=O)=O)/C)C/C=C/[C@H]([C@H](C)O)C)O)O is pseudomonic acid C--holothin. It is also related to or classified as lactam  .  It is also related to or classified as enoate ester  . It is also related to or classified as organosulfur heterocyclic compound .
The molecule O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)OCC=2C(O[C@@]([C@H]([C@@]3(O)CC[C@]4([C@@]5(C[C@H]([C@]6(CC=CC(=O)[C@@]6([C@]5(CC[C@@]43C)[H])C)O)O)[H])[H])C)(CC2C)[H])=O)CO O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)OCC=2C(O[C@@]([C@H]([C@@]3(O)CC[C@]4([C@@]5(C[C@H]([C@]6(CC=CC(=O)[C@@]6([C@]5(CC[C@@]43C)[H])C)O)O)[H])[H])C)(CC2C)[H])=O)CO is 5alpha,6beta,17alpha-trihydroxywithanolide 27-O-beta-D-glucoside. It is also related to or classified as delta-lactone  . It is also related to or classified as sterol 27-beta-D-glucosides  .  It is also related to or classified as secondary alcohol  .   It is also related to or classified as enone  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as 17alpha-hydroxy steroid , 6beta-hydroxy steroid , 5alpha-hydroxy steroid , monosaccharide derivative .
The molecule CCC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(CC)C(=O)C3=CC(=CC=C3)F CCC(=O)N1[C@@H]([C@H]([C@H]1CO)C2=CC=CC=C2)CN(CC)C(=O)C3=CC(=CC=C3)F is N-ethyl-3-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule Cc1ncc(C[n+]2csc(CCOP([O-])([O-])=O)c2C)c(N)n1 Cc1ncc(C[n+]2csc(CCOP([O-])([O-])=O)c2C)c(N)n1 is an organophosphate oxoanion that is the conjugate base of thiamine(1+) monophosphate(1-), arising from the deprotonation of the phosphate group. Major microspecies at pH 7.3. It has the role of human metabolite . It is also related to or classified as thiamine phosphate , vitamin B1 , organophosphate oxoanion .
The molecule C1=CC(=C(C2=C1NC=C2O)Cl)Br is a member of the class of hydroxyindoles that is indoxyl carrying additional chloro and bromo substituents at positions 4 and 5 respectively. It has a role as a chromogenic compound. It is a bromoindole, a member of hydroxyindoles, a chloroindole and a heteroaryl hydroxy compound. It derives from an indoxyl.
The molecule C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2 is a mancude organic heterotricyclic parent that consists of a seven-membered nitrogen hetrocycle fused with two benzene rings. It has a role as a marine xenobiotic metabolite. It is a mancude organic heterotricyclic parent and a dibenzoazepine.
The molecule C1CC1CC(=O)N2CC3(C2)[C@@H]([C@@H](N3C(=O)C4=NC=CN=C4)CO)C5=CC=CC=C5 C1CC1CC(=O)N2CC3(C2)[C@@H]([C@@H](N3C(=O)C4=NC=CN=C4)CO)C5=CC=CC=C5 is 2-cyclopropyl-1-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(2-pyrazinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [O+]1=C[C@H](O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] [O+]1=C[C@H](O)[C@H](O)[C@H]1COP(OP(OC[C@@H]2[C@H]([C@H]([C@H](N3C4=NC=NC(=C4N=C3)N)O2)O)O)(=O)[O-])(=O)[O-] is major species at pH 7.3. Its functional parent is ADP-D-ribose(2-) . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule [H]C(=O)NC1C(O)C(O)C(OC1C)OC2C(O)C(NC(=O)C)C(OCCCCCN)OC2CO [H]C(=O)NC1C(O)C(O)C(OC1C)OC2C(O)C(NC(=O)C)C(OCCCCCN)OC2CO is an amino disaccharide that is 4,6-dideoxy-4-formamido-beta-D-glucopyranose linked 1->4 to a 5-aminopentyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside residue. It has the role of epitope .    It is also related to or classified as N-formylderivative  . It is also related to or classified as acetamides , amino disaccharide , primary amino compound .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)[O-])NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@H](CC(=O)[O-])[NH3+] is dizwitterionic form of Ile(5)-angiotensin II (1-7) having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. It is a tautomer of an Ile(5)-angiotensin II (1-7).
The molecule [H+].[H+].[H+].[H+].CN1CCN(CC1)C2=NC3=C(N4C2=CC=C4)C=CC(=C3)C(F)(F)F.C(=C\\C(=O)[O-])\\C(=O)[O-].C(=C\\C(=O)[O-])\\C(=O)[O-] is a maleate salt that is the dimaleate salt of 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration. It has a role as a serotonergic agonist and a prodrug. It contains a 4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline.
The molecule C1[C@@H]2[C@H]([C@H](N2C(=O)CN1S(=O)(=O)CC3=CC=CC=C3)CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5 C1[C@@H]2[C@H]([C@H](N2C(=O)CN1S(=O)(=O)CC3=CC=CC=C3)CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5 is (6S,7R,8S)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=CC=C(C=C1)P(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 C1=CC=C(C=C1)P(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 is A member of the class of phosphoranes that is phosphorane in which all 5 hydrogen's are replaced by phenyl groups.  It is also related to or classified as phosphoranes  . It is also related to or classified as benzenes .
The molecule C=CC[NH+]1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O is an ammonium ion resulting from the protonation of the nitrogen of naloxone. It is a conjugate acid of a naloxone.
The molecule CC(=C[C@@H]1[C@H](C1(C)C)C=O)C is an aldehyde resulting from the formal oxidation of the hydroxy group of (R,R)-chrysanthemol. It is an aliphatic aldehyde, a member of cyclopropanes, an olefinic compound and a monoterpenoid. It derives from a (R,R)-chrysanthemol.
The molecule CC(Cl)=O CC(Cl)=O is acetyl chloride. Its functional parent is acetic acid . It is also related to or classified as acyl chloride .
The molecule COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl is A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a  methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks. It has the role of anticoagulant . It has the role of platelet aggregation inhibitor . It has the role of P2Y12 receptor antagonist . Its functional parent is ticlopidine . It is also related to or classified as methyl ester  . It is also related to or classified as thienopyridine , monochlorobenzenes .
The molecule C[C@@H](C(=O)O)Cl is a monocarboxylic acid that is propanoic acid substituted at position 2 by a chloro group (the S-enantiomer). It has a role as a neurotoxin. It is a monocarboxylic acid and a chlorocarboxylic acid. It derives from a propionic acid. It is a conjugate acid of a (S)-2-chloropropanoate.
The molecule CCCCCCCCCCCCCCCCCCOCC(=O)COP(=O)(O)O is a 1-alkylglycerone 3-phosphate in which the alkyl group is specified as octadecyl. It is a conjugate acid of a 1-octadecylglycerone 3-phosphate(2-).
The molecule C=1C=CC(=CC1)C(=O)OCCCC C=1C=CC(=CC1)C(=O)OCCCC is A benzoate ester obtained by condensation of benzoic acid and butanol. It is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles. It has the role of fragrance . It has the role of antimicrobial food preservative . It has the role of plant metabolite . It is also related to or classified as benzoate ester .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(CSC)=O)=O)=O)O)(C)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@H](C(NCCC(NCCSC(CSC)=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-(methylsulfanyl)acetyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule COC(=O)CCCCCCC(=O)NN=CC1=CC=CC=C1Cl COC(=O)CCCCCCC(=O)NN=CC1=CC=CC=C1Cl is 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-8-oxooctanoic acid methyl ester. It is also related to or classified as organochlorine compound  .
The molecule [H][C@]12SC(C)(C)C(N1C(=O)[C@H]2NC(=O)C1=CC(=CC=C1)C1=CC(=O)C2=CC=CC=C2O1)C(O)=O [H][C@]12SC(C)(C)C(N1C(=O)[C@H]2NC(=O)C1=CC(=CC=C1)C1=CC(=O)C2=CC=CC=C2O1)C(O)=O is A penicillin in which the substituent at position 6 of the penam ring is a [3-(4-oxo-4H-chromen-2-yl)benzoyl]nitrilo group. It has the role of antibacterial agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as penicillin  .  It is also related to or classified as flavones  . It is also related to or classified as benzenes .
The molecule Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC([O-])=O)c(CCC([O-])=O)c5C)c(C=C)c4C)c(C=C)c3C Cc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc([nH]2)c1CCC([O-])=O)c(CCC([O-])=O)c5C)c(C=C)c4C)c(C=C)c3C is dicarboxylate anion of protoporphyrinogen. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as cyclic tetrapyrrole anion .
The molecule C1[C@H]([C@@H]([C@H](C1=O)CCCCCCC(=O)[O-])/C=C/[C@H](CCCCCO)O)O is a prostaglandin carboxylic acid anion that is the conjugate base of 20-hydroxyprostaglandin E1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It derives from a prostaglandin E1(1-). It is a conjugate base of a 20-hydroxyprostaglandin E1.
The molecule CCCCNC(=O)[C@H](C)NC(=O)/C(=N\\OC)/C1=CC=CO1 is a monocarboxylic acid amide obtained by formal condensation between N-butyl-L-alaninamide and (2Z)-2-(2-furyl)-2-(methoxyimino)acetic acid. It is an oxime O-ether, a member of furans, a L-alanine derivative and a secondary carboxamide.
The molecule CCOC1=CC2=C(C=C1)NC(C3=C2C(=NC4=CC=C(C=C4)NC(=O)C)SS3)(C)C CCOC1=CC2=C(C=C1)NC(C3=C2C(=NC4=CC=C(C=C4)NC(=O)C)SS3)(C)C is N-[4-[(8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl]acetamide. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12 is A dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups. It has the role of dye . It is also related to or classified as dihydroxyanthraquinone  .
The molecule COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC is a methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3', 4' and 5'. It has a role as a plant metabolite. It derives from a flavone.
The molecule C[C@@H]1C=CN[C@H]1C(=O)O is a pyrroline consisting of 2-pyrroline having methyl and carboxy substituents at positions 4 and 5 respectively. It is a monocarboxylic acid and a pyrroline.
The molecule O=S(=O)(O)CCNCCCC1(OC2=C(C(=C(O)C=C2CC1)C)C)C O=S(=O)(O)CCNCCCC1(OC2=C(C(=C(O)C=C2CC1)C)C)C is gamma-CEHC taurine. Its functional parent is taurine . Its functional parent is gamma-CEHC . It is also related to or classified as organosulfonic acid  .
The molecule CC(C)C(=O)SCCC(S)CCCCC(N)=O CC(C)C(=O)SCCC(S)CCCCC(N)=O is S(8)-(2-methylpropanoyl)dihydrolipoamide. It has the role of human metabolite . It is also related to or classified as S-substituted dihydrolipoamide .
The molecule CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)S(=O)(=O)C4=CC=CC=C4 CC(C)C#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CC(=O)N3[C@H]2CO)S(=O)(=O)C4=CC=CC=C4 is (6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1[C@@H]2C([C@@H](N2)CN1C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N C1[C@@H]2C([C@@H](N2)CN1C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N is 3-[4-[(1R,5S)-3-[oxo(3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule COC(=O)CC(O)c1c(C)c2C=C3C(C=C)=C(C)C4=[N+]3[Mg--]35n2c1C=C1C(CCC([O-])=O)=C(C)C(C=c2c(C)c(C=C)c(=C4)n32)=[N+]51 COC(=O)CC(O)c1c(C)c2C=C3C(C=C)=C(C)C4=[N+]3[Mg--]35n2c1C=C1C(CCC([O-])=O)=C(C)C(C=c2c(C)c(C=C)c(=C4)n32)=[N+]51 is the conjugate base of magnesium 13(1)-hydroxyprotoporphyrin 13-monomethyl ester, formed by deprotonation of the carboxyethyl group at C-17.  It is  the principal species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as cyclic tetrapyrrole anion .
The molecule CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O is an amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a 6-O-sulfo-beta-D-glucosyl residue attached at the 3-position. It is an amino disaccharide and an oligosaccharide sulfate. It is a conjugate acid of a 2-acetamido-2-deoxy-3-O-(6-O-sulfonato-beta-D-glucosyl)-beta-D-galactose.
The molecule C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C is a cholestanoid that is (5alpha,25R)-cholest-4-en-26-oic acid substituted at position 3 by an oxo group. It is a conjugate acid of a (25R)-Delta(4)-dafachronate.
The molecule CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 is A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9. It has the role of antimalarial . It has the role of EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor .   It is also related to or classified as organochlorine compound  . It is also related to or classified as acridines , aromatic ether , tertiary amino compound .
The molecule CC(C)C[C@@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=CC=C3)N=N2 CC(C)C[C@@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=CC=C3)N=N2 is (4S,7R)-7-(2-methylpropyl)-4-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1(COC(OC1)CCCC=NNC(=O)CCCCCCC(=O)OC)C CC1(COC(OC1)CCCC=NNC(=O)CCCCCCC(=O)OC)C is 8-[2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butylidene]hydrazinyl]-8-oxooctanoic acid methyl ester. It is also related to or classified as fatty acid methyl ester  .
The molecule CCCCS(=N)(=O)CCC(N)C(O)=O CCCCS(=N)(=O)CCC(N)C(O)=O is A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl. It has the role of ferroptosis inducer . It has the role of EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor . It is also related to or classified as diastereoisomeric mixture .
The molecule CCCCCCCCC\C=C/C\C=C/CCCC(O)=O CCCCCCCCC\C=C/C\C=C/CCCC(O)=O is an octadecadienoic acid having two double bonds located at positions 5 and 8 (the 5Z,8Z-geoisomer). It has the role of human metabolite . It is a conjugate acid of (5Z,8Z)-octadecadienoate . It is also related to or classified as octadecadienoic acid .
The molecule C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N=C(NC2=O)N is a nucleoside 5'-diphosphate(3-) obtained by deprotonation of the three diphosphate OH groups of guanosine 5'-diphosphate (GMP); major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a GDP(2-).
The molecule C(CCC(=O)O)CC(C(=O)O)N is an amino dicarboxylic acid that is heptanedioic acid in which a hydrogen at position 2 is replaced by an amino group. It is a component of the cell wall peptidoglycan of bacteria. It has a role as a bacterial metabolite. It is an amino dicarboxylic acid and a non-proteinogenic alpha-amino acid.
The molecule C[C@@]12CC[C@@H]3[C@@H]([C@H]1[C@](CC[C@H]2O)(C)O)OC(=O)C3=C is a sesquiterpene lactone that is the 1beta-hydroxy derivative of arbusculin A. Isolated from Saussurea lappa, it exhibits inhibitory activity against melanogenesis. It has a role as a metabolite and a melanin synthesis inhibitor. It is a sesquiterpene lactone, a diol and an organic heterotricyclic compound. It derives from an arbusculin A.
The molecule CC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3CC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)CO CC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3CC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N)CO is 4-[4-[(2R,3R)-1-acetyl-6-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule COC(=O)[C@H]1[C@H](OC(=N1)C2=CC=C(C=C2)OCCCO)C3=CC=CC=C3N=[N+]=[N-] COC(=O)[C@H]1[C@H](OC(=N1)C2=CC=C(C=C2)OCCCO)C3=CC=CC=C3N=[N+]=[N-] is (4R,5R)-5-(2-azidophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-4,5-dihydrooxazole-4-carboxylic acid methyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule FC1=CC=C(C=C1)C(O)C(Cl)(Cl)Cl FC1=CC=C(C=C1)C(O)C(Cl)(Cl)Cl is 2,2,2-trichloro-1-(4-fluorophenyl)ethanol. It has the role of insecticide . It is also related to or classified as organic molecular entity .
The molecule [H]C(=O)C([H])=C([H])C(C(O)=O)=C(N)C(O)=O [H]C(=O)C([H])=C([H])C(C(O)=O)=C(N)C(O)=O is an oxo dicarboxylic acid that is but-2-enedioic acid substituted by an amino group at position 2 and a 3-oxoprop-1-enyl group at position 3. It has the role of human metabolite . Its functional parent is butenedioic acid . It is a conjugate acid of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate . It is a conjugate acid of 2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-) . It is also related to or classified as oxo dicarboxylic acid , amino dicarboxylic acid , muconic semialdehyde , non-proteinogenic alpha-amino acid .