anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC[C@H]1OC(O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O OC[C@H]1OC(O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[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 linear trisaccharide consisting of three D-mannose units joined by alpha-(1->2)-linkages. It is also related to or classified as mannotriose , (1->2)-alpha-D-mannooligosaccharide .
The molecule C[C@@H]1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C is a cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a member of pyrazoles, a member of monofluorobenzenes, an aromatic ether, a nitrile, a member of benzamides, an azamacrocycle, an aminopyridine, a cyclic ether and an organic heterotetracyclic compound.
The molecule C1=CC(C=C2[C@]1([C@@]3([C@@](CC2)([C@]4([C@](C[C@@H]3O)([C@]([C@@H](C4)C)(C(CO)=O)O)C)[H])[H])F)C)=O C1=CC(C=C2[C@]1([C@@]3([C@@](CC2)([C@]4([C@](C[C@@H]3O)([C@]([C@@H](C4)C)(C(CO)=O)O)C)[H])[H])F)C)=O is A fluorinated steroid that is 9-fluoropregna-1,4-diene substituted by hydroxy groups at positions 11, 17 and 21, a methyl group at position 16 and oxo groups at positions 3 and 20. It is a synthetic member of the class of  glucocorticoids. It has the role of anti-inflammatory drug . It has the role of antineoplastic agent . It has the role of xenobiotic . It has the role of immunosuppressive agent . It has the role of adrenergic agent . It has the role of antiemetic . It has the role of environmental contaminant .    It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 17alpha-hydroxy steroid , 21-hydroxy steroid , 20-oxo steroid , fluorinated steroid .
The molecule C(CO)(CO)O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO C(CO)(CO)O[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO is A glucosylglycerol consisting of a beta-D-glucosyl residue attached at position 2 of glycerol via a glycosidic bond. It has the role of Arabidopsis thaliana metabolite . It has the role of human blood serum metabolite . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as glucosylglycerol .
The molecule C[C@@H]1CCC([C@@H](CCC(O)=O)[C@]1(C)Cc1c[nH]c2ccccc12)=C(C)C C[C@@H]1CCC([C@@H](CCC(O)=O)[C@]1(C)Cc1c[nH]c2ccccc12)=C(C)C is A  terpenoid indole alkaloid that is 1H-indole substituted by cyclohexylmethyl ring at position 3 which in turn is substituted by additional methyl groups at positions 2 and 3, a propan-2-ylidene group at position 6 and a 2-carboxyethyl group at position 1. Isolated from   Greenwayodendron suaveolens, it exhibits antibacterial activity. It has the role of metabolite . It has the role of antibacterial agent . It is also related to or classified as monocarboxylic acid , sesquiterpenoid , terpenoid indole alkaloid .
The molecule CCCCNC(=O)[C@H](CS)NC(=O)[C@H](N)c1ccccc1 CCCCNC(=O)[C@H](CS)NC(=O)[C@H](N)c1ccccc1 is A dipeptide consisting of N-butyl-L-cysteinamide having an (R)-2-amino-2-phenylacetyl residue attached to its alpha-amino nitrogen. It is also related to or classified as dipeptide  . It is also related to or classified as L-cysteine derivative .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)CC4CC4 C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)F)C(=O)N(C[C@@H]1OC)C)C)CC4CC4 is N-[(5R,6R,9S)-8-(cyclopropylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-fluorobenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C(C(=C1)C(=O)C2=NC=CS2)NC=O is an aromatic ketone in which the two substituents attached to the carbonyl group are 2-formamidophenyl and thiazol-2-yl. It has a role as a metabolite. It is a member of 1,3-thiazoles and an aromatic ketone. It derives from a 2-formylphenylformamide.
The molecule Oc1ccc(O)nc1 Oc1ccc(O)nc1 is A dihydroxypyridine that is pyridine substituted by hydroxy groups at positions 2 and 5. It has the role of mouse metabolite . It is also related to or classified as dihydroxypyridine .
The molecule C([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O is a lyxonate that is the conjugate base of D-lyxonic acid, obtained by the deprotonation of the carboxy group. It is a conjugate base of a D-lyxonic acid. It is an enantiomer of a L-lyxonate.
The molecule [H][C@@]12CC(=O)N3c4ccccc4[C@]45C[C@@H](N6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H])C1=C[C@@]2([H])[C@@]3([H])C[C@]4([H])N(CC[C@@]44c5ccccc5N(C1=O)[C@@]24[H])C\C3=C\CO [H][C@@]12CC(=O)N3c4ccccc4[C@]45C[C@@H](N6CC(=CCO1)[C@]([H])(C[C@@]46[H])[C@]2([H])[C@]35[H])C1=C[C@@]2([H])[C@@]3([H])C[C@]4([H])N(CC[C@@]44c5ccccc5N(C1=O)[C@@]24[H])C\C3=C\CO is A bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity. It has the role of metabolite . It has the role of antiplasmodial drug . It is also related to or classified as primary alcohol  . It is also related to or classified as ring assembly , bisindole alkaloid .
The molecule CCCCNC(=O)[C@H](CO)NC(=O)[C@H](N)c1ccccc1 CCCCNC(=O)[C@H](CO)NC(=O)[C@H](N)c1ccccc1 is A dipeptide consisting of N-butyl-L-serinamide having an (R)-2-amino-2-phenylacetyl residue attached to its alpha-amino nitrogen. It is also related to or classified as L-serine derivative .
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] is a pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase. It has a role as an antiviral drug, an antimetabolite and a HIV-1 reverse transcriptase inhibitor. It is a pyrimidine 2',3'-dideoxyribonucleoside and an azide.
The molecule CN1CCC(=C2C3=C(C=CC=N3)CCC4=CC=CC=C24)CC1.C(=C\\C(=O)O)\\C(=O)O.C(=C\\C(=O)O)\\C(=O)O is the dimaleate salt of azatadine. It has a role as a H1-receptor antagonist and an anti-allergic agent. It contains an azatadine.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O)O)O)O)O is a linear amino trisaccharide comprising an N-glycoloyl-alpha-neuraminyl residue (2->6)-linked to a beta-D-galactosyl residue, which is in turn linked (1->4) to N-acetyl-beta-D-glucosamine. It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
The molecule [H][C@]12C[C@]3([H])N(C\C1=C\C)[C@]([H])(C[C@@]31c3ccccc3N3C(=O)CC=C2[C@@]13[H])[C@]1([H])C(=O)N2c3ccccc3[C@]34CCN5CC6=CCO[C@]1([H])[C@]([H])([C@@]6([H])C[C@@]35[H])[C@]24[H] [H][C@]12C[C@]3([H])N(C\C1=C\C)[C@]([H])(C[C@@]31c3ccccc3N3C(=O)CC=C2[C@@]13[H])[C@]1([H])C(=O)N2c3ccccc3[C@]34CCN5CC6=CCO[C@]1([H])[C@]([H])([C@@]6([H])C[C@@]35[H])[C@]24[H] is A  bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity. It has the role of metabolite . It has the role of antiplasmodial drug . It is also related to or classified as ring assembly , bisindole alkaloid .
The molecule [H][C@]12CC[C@@]3(C)CCC[C@](O)(C3)[C@]1([H])CC2(C)C [H][C@]12CC[C@@]3(C)CCC[C@](O)(C3)[C@]1([H])CC2(C)C is A carbotricyclic compound that is tricyclo[6.3.1.0(2,5)]dodecane which is substituted by a hydroxy group at position 1 and by methyl groups at positions 4, 4, and 8 (the  1S,2R,5S,8R-diastereoisomer). It has the role of bacterial metabolite .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as sesquiterpenoid , carbotricyclic compound .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3CCOCC3)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)CC3CCOCC3)C)OC)C is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-(4-oxanylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)C is a ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions and in which the hydroxy group at position 20 has been converted to the corresponding beta-D-xylopyranosyl-beta-D-glucopyranoside. It has a role as an antineoplastic agent and a plant metabolite. It is a ginsenoside, a tetracyclic triterpenoid, a beta-D-glucoside, a disaccharide derivative and a 3beta-hydroxy-4,4-dimethylsteroid. It derives from a (20S)-protopanaxadiol. It derives from a hydride of a dammarane.
The molecule CCCCCCCCCC1=COC2(C1=O)CC(C(O2)(CC(=O)O)C(=O)O)C(=O)O is an oxaspiro compound that is 1,6-dioxaspiro[4.4]non-2-en-4-one substituted by a carboxymethyl group at position 2, carboxy groups at positions 2 and 3, an oxo group at position 9 and a nonyl group at position 8. Isolated from the culture broth of the fungus Talaromyces trachyspermus, it exhibits inhibitory activity against the enzyme heparanase. It has a role as a fungal metabolite and an EC 3.2.1.166 (heparanase) inhibitor. It is an oxaspiro compound and a tricarboxylic acid.
The molecule [H][C@]12CC[C@](C)(O)[C@@H](CC3=CC(=O)C=C(OC)C3=O)[C@]1(C)CC[C@@]1([H])[C@]3(C)CCC[C@]21COC3=O [H][C@]12CC[C@](C)(O)[C@@H](CC3=CC(=O)C=C(OC)C3=O)[C@]1(C)CC[C@@]1([H])[C@]3(C)CCC[C@]21COC3=O is A diterpenoid that is 15,17-epoxypodocarpan-15-one substituted by a hydroxy group at position 13, methyl groups at positions 8 and 13 and a (5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl group at position 14 (the 13alpha,14beta stereoisomer). Isolated from the marine sponge Petrosia corticata, it exhibits  antineoplastic activity. It has the role of antineoplastic agent . It has the role of animal metabolite . It has the role of marine metabolite . It is also related to or classified as diterpenoid  .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as enol ether  . It is also related to or classified as p-quinones , meroterpenoid .
The molecule CCCCNC(=O)[C@H](C)NC(=O)[C@H](N)c1ccccc1 CCCCNC(=O)[C@H](C)NC(=O)[C@H](N)c1ccccc1 is A dipeptide consisting of N-butyl-L-alaninamide having an (R)-2-amino-2-phenylacetyl residue attached to its alpha-amino nitrogen. It is also related to or classified as dipeptide  . It is also related to or classified as L-alanine derivative .
The molecule CC(CCCCCC/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)O is a HETrE that is (5Z,8Z,11Z)-icosatrienoic acid substituted at position 19 by a hydroxy group. It has a role as a human xenobiotic metabolite. It is a HETrE and an (omega-1)-hydroxy fatty acid. It derives from a (5Z,8Z,11Z)-icosatrienoic acid. It is a conjugate acid of a 19-HETrE(1-).
The molecule C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCN)CO)O is a pyrimidine 2'-deoxyribonucleoside that is 2'-deoxyuridine in which the hydrogen at position 5 has been replaced by a 2-aminoethyl group. It is a thymidine hypermodification replacing 30% of thymidine in the DNA of the Pseudomonas phage M6. It is a pyrimidine 2'-deoxyribonucleoside and a primary amino compound. It derives from a 2'-deoxyuridine.
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](O2)[C@@H](CO)O)O)O)O is a disaccharide that is alpha-D-galactopyranose in which the hydroxy group at position 4 has been converted into the corresponding beta-D-galactofuranoside. It is a glycoside and a glycosylgalactose. It derives from a beta-D-galactose and a beta-D-galactofuranose.
The molecule [Zn+2].S1C(=N[C@](C1)(C(=O)[O-])C)C([C@@H](O)[C@H]2N([C@@H]([C@@H]3N=C(C4=C([O-])C=CC=C4CCCCC)SC3)SC2)C)(C)C [Zn+2].S1C(=N[C@](C1)(C(=O)[O-])C)C([C@@H](O)[C@H]2N([C@@H]([C@@H]3N=C(C4=C([O-])C=CC=C4CCCCC)SC3)SC2)C)(C)C is Micacocidin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCOC(=O)\C=C(C)\C=C\C=C(C)\C=C\c1c(C)cc(OC)c(C)c1C CCOC(=O)\C=C(C)\C=C\C=C(C)\C=C\c1c(C)cc(OC)c(C)c1C is etretinate. It has the role of keratolytic drug . It is also related to or classified as ethyl ester  . It is also related to or classified as retinoid  . It is also related to or classified as enoate ester  .
The molecule [H][C@@]12CC[C@H](C)[C@@]3(C)Cc4c(OC)ccc(O)c4O[C@@]13CCCC2(C)C [H][C@@]12CC[C@H](C)[C@@]3(C)Cc4c(OC)ccc(O)c4O[C@@]13CCCC2(C)C is A sesquiterpenoid that is 1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthene substituted by a hydroxy group at position 12, methyl groups at positions 4, 4, 7 and 7a and a methoxy group at position 9 (the 4aS,7S,7aR,13aS stereoisomer). Isolated from  Strongylophora hartmani, it exhibits activity against the influenza virus. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of EC 3.2.1.18 (exo-alpha-sialidase) inhibitor .  It is also related to or classified as phenols  . It is also related to or classified as sesquiterpenoid , aromatic ether , organic heterotetracyclic compound .
The molecule C[C@H]1O[C@H](O)[C@H](O)[C@H]([C@H]1O)N(C)C C[C@H]1O[C@H](O)[C@H](O)[C@H]([C@H]1O)N(C)C is A hexosamine having a 3-dimethylamino-3,6-dideoxy-alpha-D-galactose structure, the amino sugar constituent of ravidomycin and other antibiotics. It is also related to or classified as hexosamine  .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\\CCCCCCCC is a 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as oleoyl and palmitoyl respectively. It is a 1,2-diacyl-sn-glycerol and a 1-oleoyl-2-palmitoylglycerol.
The molecule O=C(O)[C@H]1[C@H](C/C=C\CCCCCC)C1 O=C(O)[C@H]1[C@H](C/C=C\CCCCCC)C1 is Toblerol C. It is also related to or classified as carboxylic acid  . It is also related to or classified as cyclopropanes .
The molecule C(CO)N(CCO)CCS(=O)(=O)O is a Good's buffer substance, pKa = 7.15 at 20 ℃. It is a BES and an amino sulfonic acid. It is a conjugate acid of a 2-[bis(2-hydroxyethyl)amino]ethanesulfonate. It is a tautomer of a 2-[bis(2-hydroxyethyl)ammonio]ethanesulfonate.
The molecule OC(=O)CCC(O)(CC(O)=O)C(O)=O OC(=O)CCC(O)(CC(O)=O)C(O)=O is homocitric acid. It is a conjugate acid of homocitrate(1-) . It is also related to or classified as tricarboxylic acid .
The molecule COc1c(C)c(C[C@@H](C)O)c2[nH]c3ccccc3c2c1OC COc1c(C)c(C[C@@H](C)O)c2[nH]c3ccccc3c2c1OC is A carbazole alkaloid that is 9H-carbazole substituted by a methyl group at position 2, methoxy groups at positions 3 and 4 and a (2S)-2-hydroxypropyl group at position 1. Isolated from mycelial solid culture of Streptoverticillium morookaense, it exhibits antifungal activity. It has the role of metabolite . It has the role of antifungal agent .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aromatic ether , carbazole alkaloid .
The molecule CCCCNC(=O)[C@H](CS)NC(=O)Cc1cccs1 CCCCNC(=O)[C@H](CS)NC(=O)Cc1cccs1 is A cysteine derivative obtained by formal condensation between N-butyl-L-cysteinamide and 2-thienylacetic acid.  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as thiophenes , L-cysteine derivative .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CC3=NC=CS3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CC3=NC=CS3)C)OC)C is N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C([C@@H]([C@@H](CO)O)O)C(=O)[O-] is a member of the class of ribonates that is the conjugate base of 2-deoxy-D-ribonic acid. It has a role as a human metabolite. It is a conjugate base of a 2-deoxy-D-ribonic acid.
The molecule OC[C@H](COP(O)(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O OC[C@H](COP(O)(O)=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A glucosylglycerol phosphate consisting of sn-glycerol 3-phosphate having a beta-D-glucosyl residue attached at position 2. It is a conjugate acid of 2-O-(beta-D-glucosyl)-sn-glycerol 3-phosphate(2-) . It is also related to or classified as glucosylglycerol phosphate .
The molecule C/C(=C\\CC/C(=C/C(=O)[O-])/C)/CC[C@@H]1C(O1)(C)C is a polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of juvenile hormone III acid; major species at pH 7.3. It is a conjugate base of a juvenile hormone III acid.
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino oligosaccharide that is beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc in which the mannosyl group is substituted at position 6 by a beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man group and at position 3 by a beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-[beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-Man group. It is also related to or classified as glucosamine oligosaccharide , amino oligosaccharide .
The molecule [H]C(=O)[C@H](F)[C@@H](O)[C@H](O)[C@H](O)CO [H]C(=O)[C@H](F)[C@@H](O)[C@H](O)[C@H](O)CO is 2-deoxy-2-fluoro-aldehydo-D-glucose. Its functional parent is aldehydo-D-glucose . It is also related to or classified as aldehyde  . It is also related to or classified as 2-deoxy-2-fluoro-D-glucose  .
The molecule C[C@@H](O)CSCCS(O)(=O)=O C[C@@H](O)CSCCS(O)(=O)=O is (R)-2-hydroxypropyl-CoM. It is a conjugate acid of (R)-2-hydroxypropyl-CoM(1-) . It is also related to or classified as 2-hydroxypropyl-CoM  .
The molecule CC(=O)c1cc(C)[nH]c(=O)c1 CC(=O)c1cc(C)[nH]c(=O)c1 is A pyridone that is pyridin-2(1H)-one substituted by an acetyl group at position 4 and a methyl group at position 6. It is isolated from the fermentation broth of Streptomyces sp. KORDI-3238 and exhibits moderate cytotoxicity against a number of human cancer cell lines. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antineoplastic agent . It is also related to or classified as pyridone , methyl ketone , aromatic ketone .
The molecule CCCCNC(=O)[C@H](CO)NC(=O)Cc1cccs1 CCCCNC(=O)[C@H](CO)NC(=O)Cc1cccs1 is A L-serine derivative obtained by formal condensation between N-butyl-L-serinamide and 2-thienylacetic acid.  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as thiophenes , L-serine derivative .
The molecule CCCCCCCC/C=C\\CCCCCC(=O)O is a C16 fatty acid having a (Z)-double bond at the 7-position; marker of early life stage mortality in trout and of physiologically active autotrophic bacteria in complex microbial communities. It is a conjugate acid of a (7Z)-hexadecenoate.
The molecule C[C@H](C(=O)N[C@H](C)C(=O)[O-])[NH3+] is a dipeptide zwitterion that is the zwitterionic form of D-alanyl-D-alanine arising from migration of a proton from the OH of the carboxy terminus to the amino terminus. It has a role as an Escherichia coli metabolite. It is a tautomer of a D-alanyl-D-alanine.
The molecule CCCNC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)CC)OC[C@@H]1C)C)OC)C CCCNC(=O)N1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)CC)OC[C@@H]1C)C)OC)C is (5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-14-(1-oxopropylamino)-N-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCC[C@@H](O)[C@H](C)[C@H]1OC(=O)[C@H](COC(C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)[C@@H](C)O CCCCCCCCCCCCC[C@@H](O)[C@H](C)[C@H]1OC(=O)[C@H](COC(C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)[C@@H](C)O is A 13-membered cyclodepsipeptide isolated from the culture broth of Penicillium sp. It exhibits significant immunosuppressive effect on T-cell activiation. It has the role of immunosuppressive agent . It has the role of Penicillium metabolite . It is also related to or classified as cyclodepsipeptide  . It is also related to or classified as macrocycle  .
The molecule CCCCNC(=O)[C@H](C)NC(=O)Cc1cccs1 CCCCNC(=O)[C@H](C)NC(=O)Cc1cccs1 is an L-alanine derivative obtained by formal condensation between N-butyl-L-alaninamide and 2-thienylacetic acid. It is also related to or classified as secondary carboxamide  . It is also related to or classified as thiophenes , L-alanine derivative .
The molecule [C@]1([C@]2(O[C@@]2(CC=C(C)C)[H])C)([H])[C@@H]([C@@H](CC[C@]13CO3)OC(=O)\C=C\C=C\C=C\C=C\C=C\C)OC [C@]1([C@]2(O[C@@]2(CC=C(C)C)[H])C)([H])[C@@H]([C@@H](CC[C@]13CO3)OC(=O)\C=C\C=C\C=C\C=C\C=C\C)OC is prefumagillin.   It is also related to or classified as carboxylic ester  . It is also related to or classified as spiro-epoxide , organooxygen heterocyclic antibiotic , meroterpenoid .
The molecule C1=CC=C(C=C1)N=NC2=CC=CC=C2 is a molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds.
The molecule C1=NC(=C(N1)C(=O)O)NC(=O)N is an imidazole-4-carboxylic acid compound having a ureido substituent at the 5-position. It is an imidazole-4-carboxylic acid and a member of ureas.
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CC3CCOCC3)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@H](CN([C@@H](CO2)C)CC3CCOCC3)C)OC)C is N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-(4-oxanylmethyl)-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O is a hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside and a hydroxycoumarin. It derives from an esculetin.
The molecule CCCCCCCCCCCCC[C@H]1OC(=O)[C@H](COC(C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)[C@H]1C)C(C)C)[C@@H](C)O CCCCCCCCCCCCC[C@H]1OC(=O)[C@H](COC(C)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)[C@H]1C)C(C)C)[C@@H](C)O is A 15-membered cyclodepsipeptide isolated from the culture broth of Penicillium sp. It exhibits significant immunosuppressive effect on T-cell activiation. It has the role of immunosuppressive agent . It has the role of Penicillium metabolite . It is also related to or classified as cyclodepsipeptide  . It is also related to or classified as macrocycle  .