anonymous041/ChEBI-Augmented huggingface dataset:
The molecule NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is tetraanion of NADPH arising from deprotonation of the diphosphate and phosphate OH groups; major species at pH 7.3. 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 hydrogen donor  . It is also related to or classified as ribonucleoside triphosphate oxoanion .
The molecule CNC(=O)Oc1cccc2CC(C)(C)Oc12 CNC(=O)Oc1cccc2CC(C)(C)Oc12 is carbofuran. It has the role of acaricide . It has the role of nematicide . It has the role of agrochemical . It has the role of avicide . It has the role of EC 3.1.1.8 (cholinesterase) inhibitor . It has the role of carbamate insecticide . It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor . It is also related to or classified as carbamate ester , 1-benzofurans .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O is a sphingomyelin 34:0 in which the N-acyl group and sphingoid base are specified as hexadecanoyl and phytosphingosine respectively. It is a sphingomyelin 34:0 and a N-acylphytosphingosine-1-phosphocholine. It derives from a hexadecanoic acid and a phytosphingosine.
The molecule C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)([O-])[O-])O is an organophosphate oxoanion that is the dianion of 2'-deoxy-2-hydroxyadenosine 5'-monophosphate arising from deprotonation of both OH groups of the phosphate. It is a conjugate base of a 2-hydroxy-dAMP.
The molecule [H][C@@]1(O[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO [H][C@@]1(O[C@H](OP([O-])([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO is d-glycero-D-manno-heptose 1-phosphate(2-) with alpha-configuration at the anomeric carbon atom. It is also related to or classified as D-glycero-D-manno-heptose 1-phosphate(2-)  .
The molecule Cc1cc(O)cc2OC3(C)Cc4cc5c(C(=O)c6c(O)cc(O)cc6C5(C)C)c(O)c4C(O3)c12 Cc1cc(O)cc2OC3(C)Cc4cc5c(C(=O)c6c(O)cc(O)cc6C5(C)C)c(O)c4C(O3)c12 is an organic heterohexacyclic compound that is 6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one substituted by hydroxy groups at positions 3, 11, 13 and 15, methyl groups at positions 1 and 4 and geminal methyl groups at position 9 respectively. It is isolated from the fermentation broth of Streptomyces violaceusniger and exhibits moderate antibacterial activity. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antibacterial agent . It is also related to or classified as polyphenol , bridged compound , oxacycle , cyclic ketone , organic heterohexacyclic compound .
The molecule O=C1N2[C@@H](C(=O)N[C@@H]1[C@@H](CC)C)CCC2 O=C1N2[C@@H](C(=O)N[C@@H]1[C@@H](CC)C)CCC2 is Cyclo(D)-Pro-(D)-Ile. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(CC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O)[C@@H](C(=O)O)N is a phytochelatin that is a pentapeptide consisting of 2 units of gamma-Glu-Cys, with a glycyl unit at the C-terminus. It is a phytochelatin and a pentapeptide.
The molecule C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O is a naphthalenesulfonic acid that is 7-hydroxynaphthalene-1,3-disulfonic acid substituted at position 8 by a [4-(phenyldiazenyl)phenyl]diazenyl group. The disodium salt is the biological stain 'woodstain scarlet'. It is a member of azobenzenes, a bis(azo) compound, a member of naphthols and a naphthalenesulfonic acid. It is a conjugate acid of a 7-hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonate.
The molecule C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(=O)O)Cl is a organochlorine compound comprising acetic acid having two 4-chlorophenyl substituents attached at the 2-position. It is a monocarboxylic acid and a member of monochlorobenzenes. It derives from an acetic acid.
The molecule CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)[O-])O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O)O)[NH+](C)C)O is a zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin S. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as an antimicrobial agent, an antineoplastic agent and a bacterial metabolite. It is a tautomer of an aclacinomycin S.
The molecule C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(=C/C(=O)O)\\C(=O)O is a fumarate salt prepared from equimolar amounts of tenofovir disoproxil and fumaric acid. It is used in combination therapy for the treatment of HIV infection. It has a role as a prodrug, a HIV-1 reverse transcriptase inhibitor and an antiviral drug. It contains a tenofovir disoproxil.
The molecule COc1ccc2c(c1)n(CC=C(C)C)c1occc1c2=O COc1ccc2c(c1)n(CC=C(C)C)c1occc1c2=O is A quinoline alkaloid that is furo[2,3-b]quinolin-4-one bearing additional 3,3-dimethylallyl and methoxy substituents at positions 9 and 7 respectively. It has the role of plant metabolite . It is also related to or classified as quinoline alkaloid , aromatic ether , olefinic compound , furoquinoline .
The molecule CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC is A glycodihydroceramide having alpha-D-galactosyl component and the ceramide N-acyl group specified as tetradecanoyl. It is also related to or classified as glycodihydroceramide  .
The molecule OC[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O OC[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O is an L-lyxofuranonse that has beta configuration at the carbon bearing the anomeric hydroxy group. It is also related to or classified as L-lyxofuranose  .
The molecule Oc1ccc(cc1O)\C=C1/C=C(OC1=O)c1ccc(O)c(O)c1 Oc1ccc(cc1O)\C=C1/C=C(OC1=O)c1ccc(O)c(O)c1 is A butenolide that is furan-2(3H)-one substituted by a 3,4-dihydroxybenzylidene group at position 3 and a 3,4-dihydroxyphenyl group at position 5 (the 3E stereoisomer). It is isolated from the fermentation broth of the fungal strain Rhizoctonia solani F23372 and has been found to possess significant tyrosine kinase inhibitory potential. It also inhibits the growth of A431 human epidermoid carcinoma and MKN-7 human stomach cancer cell lines. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of tyrosine kinase inhibitor .  It is also related to or classified as butenolide  . It is also related to or classified as polyphenol .
The molecule CC1=C(C2=CC=CC=C2N1)C[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 2-methyl-L-tryptophan; major species at pH 7.3. It has a role as a bacterial metabolite. It is a tautomer of a 2-methyl-L-tryptophan.
The molecule O=C(NC1=C(OC)C2=C(OC)C=C(CC(OC(=O)C)CC(=O)OCC)C=C2C(=C1)OC)NC3=C(OC)C4=C(OC)C=C(CC(OC(=O)C)CC(=O)OCC)C(=C4C=C3)OC O=C(NC1=C(OC)C2=C(OC)C=C(CC(OC(=O)C)CC(=O)OCC)C=C2C(=C1)OC)NC3=C(OC)C4=C(OC)C=C(CC(OC(=O)C)CC(=O)OCC)C(=C4C=C3)OC is Hualyzin. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O1C(C=CC1C(C(O)=O)Cl)=O O1C(C=CC1C(C(O)=O)Cl)=O is A 5-oxo-2-furylacetic acid that is muconolactone substituted at position 5 by a chloro group. It has the role of bacterial xenobiotic metabolite . Its functional parent is 5-oxo-2,5-dihydro-2-furylacetic acid . It is a conjugate acid of 5-chloromuconolactone(1-) . It is also related to or classified as 5-oxo-2-furylacetic acid , chlorocarboxylic acid .
The molecule C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+] is an organic sodium salt consisting of equimolar amounts of naproxen(1-) anions and sodium anions. It has a role as a non-narcotic analgesic, a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, an antipyretic and a non-steroidal anti-inflammatory drug. It contains a naproxen(1-).
The molecule [H][C@@]1(O[C@@](O)(CO)C[C@@H](O[C@@]2(C[C@@H](O)[C@@H](O)[C@]([H])(O2)[C@H](O)CO)C(O)=O)[C@H]1O)[C@H](O)CO [H][C@@]1(O[C@@](O)(CO)C[C@@H](O[C@@]2(C[C@@H](O)[C@@H](O)[C@]([H])(O2)[C@H](O)CO)C(O)=O)[C@H]1O)[C@H](O)CO is A disaccharide comprising 3-deoxy-alpha-D-manno-oct-2-ulopyranose (Kdo-CH2OH) having a 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl (Kdo) residue attached at the 4-position. It is also related to or classified as disaccharide  .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO)C)CN(C)CC5CC5 C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)[C@@H](C)CO)C)CN(C)CC5CC5 is 1-[(3S,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COC1=CC(=O)C2=C(CCc3ccccc3O2)C1=O COC1=CC(=O)C2=C(CCc3ccccc3O2)C1=O is A dibenzooxepine that is 10,11-dihydrodibenzo[b,f]oxepine-1,4-dione substituted by a methoxy group at position 2. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal and cytotoxic activities. It has the role of metabolite . It has the role of antifungal agent . It has the role of antimalarial . It has the role of antimycobacterial drug . It is also related to or classified as p-quinones , aromatic ether , dibenzooxepine .
The molecule CCC(=O)CC([O-])=O CCC(=O)CC([O-])=O is 3-oxopentanoate. It is also related to or classified as 3-oxo fatty acid anion  . It is also related to or classified as oxopentanoates  .
The molecule C1=CC=C(C=C1)[N+]2=C3C=C(C4=C(C3=NC5=CC=CC=C52)C=CC(=C4)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-].[Na+] is an organic sodium salt having 7-phenyl-5-(4-sulfonatoanilino)benzo[a]phenazin-7-ium-3-sulfonate as the couterion. It has a role as a histological dye. It contains an azocarmine G(1-).
The molecule CC(CNC(=S)S)NC(=S)S is a member of the class or dithiocarbamic acids resulting from the formal addition of a molecule of carbon disulfide to each of the nitrogens of propylenediamine. It derives from a propylenediamine. It is a conjugate acid of a propylene 1,2-bis(dithiocarbamate).
The molecule ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O is A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. It has the role of antifungal agrochemical .   It is also related to or classified as organochlorine compound  . It is also related to or classified as isoindoles , organosulfur compound , phthalimide fungicide .
The molecule COC1=C(C)C(=O)C2=C(CCc3cc(O)ccc3O2)C1=O COC1=C(C)C(=O)C2=C(CCc3cc(O)ccc3O2)C1=O is A dibenzooxepine that is 10,11-dihydrodibenzo[b,f]oxepine-1,4-dione substituted by a hydroxy, a methoxy and a methyl group at positions 8, 2 and 3 respectively. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal, anti-inflammatory and cytotoxic activities. It has the role of metabolite . It has the role of antifungal agent . It has the role of antimalarial . It has the role of cyclooxygenase 2 inhibitor . It has the role of antimycobacterial drug . It has the role of anti-inflammatory agent .  It is also related to or classified as phenols  . It is also related to or classified as p-quinones , aromatic ether , dibenzooxepine .
The molecule [H][C@]1(C[C@@H](OC[C@@H](O)[C@@]2([H])O[C@](O)(C[C@@H](O)[C@H]2O)C(O)=O)C=C(O1)C(O)=O)[C@H](O)CO [H][C@]1(C[C@@H](OC[C@@H](O)[C@@]2([H])O[C@](O)(C[C@@H](O)[C@H]2O)C(O)=O)C=C(O1)C(O)=O)[C@H](O)CO is A carbohydrate acid comprising 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid (Kdo) having a 5-deoxy-4-epi-2,3-dehydro-Kdo moiety attached via an unusual (4->8) non-glycosidic linkage. Its functional parent is 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid . It is also related to or classified as carbohydrate acid .
The molecule O=C1NC=C(C2=CC=C(O)C=C2)C3=C1C(=O)[C@H]4[C@H](C=CC)[C@H]5C[C@@H](C)CC[C@@H]5[C@]([C@@H]4O3)(O)C O=C1NC=C(C2=CC=C(O)C=C2)C3=C1C(=O)[C@H]4[C@H](C=CC)[C@H]5C[C@@H](C)CC[C@@H]5[C@]([C@@H]4O3)(O)C is Campyridone C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule COCC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@H]2CO)CC4=CC=NC=C4 COCC#CC1=CC=C(C=C1)[C@H]2[C@H]3CN(CCCCN3[C@H]2CO)CC4=CC=NC=C4 is [(8S,9S,10R)-9-[4-(3-methoxyprop-1-ynyl)phenyl]-6-(pyridin-4-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1[C@H](C)CCCCCCCCCCCCCCCC[C@@H]([C@@H](C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)O is a chiral mycolic acid analogue comprising 3-hydroxypropanoic acid having a tetracosanyl group at position 2 and a further long-chain alkyl group containing cyclopropyl and methoxy functions attached at position 3.
The molecule O=C1N2C(C(=CCO)OC2C1)C(=O)[O-].[Li+] O=C1N2C(C(=CCO)OC2C1)C(=O)[O-].[Li+] is Clavulanate Lithium. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C)[C@@]1(CC[C@]2([C@@H](CCC(=C)[C@@H]2[C@H]1O)O)C)O is a eudesmane sesquiterpenoid in which the eudesmane skeleton carries hydroxy substituents at position 1, 6 and 7 and a double bond between C-4 and C-14. It has been isolated from the aerial parts of Tephrosia candida. It has a role as a plant metabolite. It is a eudesmane sesquiterpenoid, a secondary alcohol and a tertiary alcohol.
The molecule CC1=C(C(=CC=C1)C)OCC(C)N is an aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol. It has a role as an anti-arrhythmia drug. It is an aromatic ether and a primary amino compound.
The molecule [H][C@]1(CC=C[C@@](OC[C@@H](O)[C@@]2([H])O[C@](O)(C[C@@H](O)[C@H]2O)C(O)=O)(O1)C(O)=O)[C@H](O)CO [H][C@]1(CC=C[C@@](OC[C@@H](O)[C@@]2([H])O[C@](O)(C[C@@H](O)[C@H]2O)C(O)=O)(O1)C(O)=O)[C@H](O)CO is A disaccharide comprising an alpha-3,4-dehydro-3,4,5-trideoxy-Kdo residue joined via a (2->8)-linkage to 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid (Kdo). It is also related to or classified as disaccharide  .
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](C2)OC(=O)CCC(O)=O [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](C2)OC(=O)CCC(O)=O is A sterol ester that is the O-succinoyl derivative of 3beta-hydroxy-5beta-pregnan-20-one.  It is also related to or classified as sterol ester  . It is also related to or classified as hemisuccinate , 20-oxo steroid , dicarboxylic acid monoester .
The molecule COc1c(O)c(C)c(OC)c2Oc3cccc(O)c3CCc12 COc1c(O)c(C)c(OC)c2Oc3cccc(O)c3CCc12 is A dibenzooxepine that is  10,11-dihydrodibenzo[b,f]oxepine substituted by methoxy groups at positions 6 and 9, methyl group at position 7 and hydroxy groups at positions 1 and 8 respectively. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal, anti-inflammatory and cytotoxic activities. It has the role of metabolite . It has the role of antifungal agent . It has the role of antimalarial . It has the role of cyclooxygenase 2 inhibitor . It has the role of antimycobacterial drug . It has the role of anti-inflammatory agent . It is also related to or classified as polyphenol , aromatic ether , dibenzooxepine .
The molecule O=C1N[C@H](C(=O)NC1=C)[C@H]([C@]2(O)C(=O)N(C)C3=C2C=CC=C3)C O=C1N[C@H](C(=O)NC1=C)[C@H]([C@]2(O)C(=O)N(C)C3=C2C=CC=C3)C is Maremycin D2. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1=C(C2=C(C=C1)C3=CC(=C(C=C3C=C2)C(C)C)OC)C is a diterpenoid that is phenanthrene substituted by a methoxy group at position 6, methyl groups at position 1 and 2 and an isopropyl group at position 7. A norabietane derivative, it is isolated from the roots of Salvia multicaulis and exhibits antitubercular activity. It has a role as a metabolite and an antitubercular agent. It is a diterpenoid, a member of phenanthrenes and an aromatic ether.
The molecule CC[C@H](C)[C@H](C(=O)[O-])O is the conjugate base of (2R,3S)-2-hydroxy-3-methylpentanoic acid. It derives from a valerate. It is a conjugate base of a (2R,3S)-2-hydroxy-3-methylpentanoic acid.
The molecule C1=CC(=C(C=C1CC(=O)O)Cl)O is a hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine. It has a role as a mammalian metabolite. It is a hydroxy monocarboxylic acid, a member of phenols and a member of monochlorobenzenes. It derives from an acetic acid.
The molecule CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C is a sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine. It has a role as a marine xenobiotic metabolite. It is a sulfonamide, a member of acetamides and a member of pyrimidines.
The molecule [H][C@@]1(O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O)[C@@H](O)CO [H][C@@]1(O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O)[C@@H](O)CO is A ketoaldonic acid comprising a 3-deoxyoctulosonic acid having beta-L-gulo-configuration. It is also related to or classified as ketoaldonic acid .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC is 1-cyclohexyl-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COc1c(C)c(O)cc2C=Cc3c(O)c(CC=C(C)C)ccc3Oc12 COc1c(C)c(O)cc2C=Cc3c(O)c(CC=C(C)C)ccc3Oc12 is A dibenzooxepine that is dibenzo[b,f]oxepine substituted by a methoxy group at position 6, a methyl group at position 7, a prenyl group at position 2 and hydroxy groups at positions 1 and 8 respectively. It is isolated from the roots of Bauhinia saccocalyx and exhibits antimycobacterial activity. It has the role of metabolite . It has the role of antimycobacterial drug . It is also related to or classified as polyphenol , aromatic ether , dibenzooxepine .
The molecule O=C1OC(C=CC(=CC(CC=CC(=CC(C(=O)C(C(O)C(CC(=CC(=O)O)C)C)C)CO)C)C)CC)C(C)C=C1 O=C1OC(C=CC(=CC(CC=CC(=CC(C(=O)C(C(O)C(CC(=CC(=O)O)C)C)C)CO)C)C)CC)C(C)C=C1 is Kazusamycin A. It is also related to or classified as very long-chain fatty acid  .
The molecule C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)CO)N is a pyrrolopurine that is 2,6-diiminodecahydropyrrolo[1,2-c]purine carrying an additional hydroxymethyl substituent at position 4 as well as two hydroxy substituents at position 10. A toxin that is isolated from marine dinoflagellates and cyanobacteria and is known to cause paralytic shellfish poisoning. It has a role as a marine metabolite, a neurotoxin, a toxin, a bacterial metabolite and a xenobiotic. It is a pyrrolopurine, a member of guanidines, a ketone hydrate, a primary alcohol and an alkaloid.
The molecule CCCNC(=O)N1[C@@H]([C@@H](C12CN(C2)C(=O)C3CCCCC3)C4=CC=CC=C4)CO CCCNC(=O)N1[C@@H]([C@@H](C12CN(C2)C(=O)C3CCCCC3)C4=CC=CC=C4)CO is (2S,3S)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1)C([O-])=O [Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1)C([O-])=O is an organic sodium salt that is the sodium salt of cefamandole. It has the role of antibacterial drug . It is also related to or classified as organic sodium salt .
The molecule C(CCCCCCCCCC(=O)[O-])CCCCCCCCCO is an omega-hydroxy fatty acid anion resulting from deprotonation of the carboxy group of 20-hydroxyicosanoic acid. The major species at pH 7.3. It is a conjugate base of a 20-hydroxyicosanoic acid.
The molecule C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(O)=O C[C@H](N)C(=O)N[C@H](CCC(O)=O)C(O)=O is A dipeptide consisting of D-glutamic acid having an L-alanyl attached to its alpha-amino group. It is also related to or classified as dipeptide  .
The molecule C(CS)C(=O)[O-] is a fatty acid anion 3:0 that is the conjugate base of 3-mercaptopropanoic acid. It has a role as an algal metabolite. It is a conjugate base of a 3-mercaptopropanoic acid.
The molecule Cc1c(O)c2Oc3cccc(O)c3C=Cc2c2C=CC(C)(C)Oc12 Cc1c(O)c2Oc3cccc(O)c3C=Cc2c2C=CC(C)(C)Oc12 is an organic heterotetracyclic compound that is 3H-chromeno[6,5-b][1]benzoxepine substituted by geminal methyl groups at position 3, a single methyl group at position 5 and hydroxy groups at positions 6 and 11. It is isolated from the roots of Bauhinia saccocalyx and exhibits antimycobacterial activity. It has the role of metabolite . It has the role of antimycobacterial drug . It is also related to or classified as polyphenol , cyclic ether , organic heterotetracyclic compound .
The molecule O=C1OC=2C=3C(C(OC)=CC2C4=C1C=C(C=C)C=C4OC)=C(O)C=CC3C5OC(C(O)C(C5O)N(C)C)C O=C1OC=2C=3C(C(OC)=CC2C4=C1C=C(C=C)C=C4OC)=C(O)C=CC3C5OC(C(O)C(C5O)N(C)C)C is Deacetylravidomycin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule Cl.CN(C)CCC=C1c2ccccc2C=Cc2ccccc12 Cl.CN(C)CCC=C1c2ccccc2C=Cc2ccccc12 is the hydrochloride salt of cyclobenzaprine. A centrally acting skeletal muscle relaxant, it is used in the symptomatic treatment of painful muscle spasm. It has the role of antidepressant . It has the role of muscle relaxant . It is also related to or classified as hydrochloride .
The molecule O1[C@]2([C@@H](O)C[C@H]([C@]1(O)C(=O)C(=O)N3[C@@](CCCC3)(C(O[C@@H]([C@@H]([C@@H](O)CC(=O)[C@@H](C=C(C[C@@H](C[C@@H]2OC)C)C)CC=C)C)\C(=C\[C@H]4C[C@@H](OC)[C@H](O)CC4)\C)=O)[H])C)[H] O1[C@]2([C@@H](O)C[C@H]([C@]1(O)C(=O)C(=O)N3[C@@](CCCC3)(C(O[C@@H]([C@@H]([C@@H](O)CC(=O)[C@@H](C=C(C[C@@H](C[C@@H]2OC)C)C)CC=C)C)\C(=C\[C@H]4C[C@@H](OC)[C@H](O)CC4)\C)=O)[H])C)[H] is 13-Demethyl tacrolimus. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(O)=O CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC(O)=O is an alpha,omega dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of adipic acid. Its functional parent is hexanoyl-CoA . Its functional parent is adipic acid . It is a conjugate acid of adipoyl-CoA(5-) . It is also related to or classified as omega-carboxyacyl-CoA  .
The molecule CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC is the (S)-enantiomer of reticuline. It has a role as an EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor. It is a conjugate base of a (S)-reticulinium(1+). It is an enantiomer of a (R)-reticuline.
The molecule CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC.Cl is a hydrochloride obtained by combining ivabradine with one molar equivalent of hydrochloric acid. Used to treat patients with angina who have intolerance to beta blockers and/or heart failure. It has a role as a cardiotonic drug. It contains an ivabradine(1+).