mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>COC(=O)NCCC(=C)\C=C/C[C@@H](O)C(C)(C)c1nc(C\C=C\CC=C)cs1</smiles> is mycothiazole. It has the role of metabolite. It is also related to or classified as thiazoles.
The molecule <smiles>C[C@H](\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O)C(C)=O</smiles> is an organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. It has the role of antimicrobial agent. It has the role of antibacterial agent. It has the role of marine metabolite. It has the role of bacterial metabolite. 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 cyclic ether, organosulfur heterocyclic compound.
The molecule <smiles>[H][C@]12CC=C[C@@]([H])(C\C=C/C(=O)O[C@H]3C[C@@]([H])(O[C@H]3\C=C\[C@@H]3CC(C)=CCO3)[C@@H](O)[C@@H](O)CC(=C)C[C@H](C)C1)O2</smiles> is fijianolide A. It has the role of metabolite. It is also related to or classified as macrolide .
The molecule <smiles>C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O</smiles> is an organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. It has the role of antimicrobial agent. It has the role of antibacterial agent. It has the role of bacterial metabolite. 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 <smiles>[H][C@]12C[C@H](OC(=O)\C=C/C[C@@]3([H])O[C@@]([H])(CC=C3)C[C@@H](C)CC(=C)C[C@H](O)[C@]1([H])O2)[C@@H](O)\C=C\[C@]1([H])CC(C)=CCO1</smiles> is A macrolide with formula C30H42O7 that is isolated from the marine sponges, Cacospongia mycofijiensis and Hyattella sp. It has the role of antineoplastic agent. It has the role of microtubule-stabilising agent. It has the role of antimitotic. It has the role of animal metabolite. It has the role of marine metabolite. It is also related to or classified as secondary allylic alcohol . It is also related to or classified as macrolide . It is also related to or classified as epoxide . It is also related to or classified as carboxylic ester . It is also related to or classified as secondary alcohol .
The molecule <smiles>CC[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O</smiles> is an organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. It has the role of antimicrobial agent. It has the role of antibacterial agent. It has the role of bacterial metabolite. 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 <smiles>COC(=O)\C=C1\CC[C@]2(C)[C@@H](C)CCC[C@]2(C)C1=O</smiles> is methyl aignopsanoate. It has the role of metabolite. It is also related to or classified as cyclohexanones.
The molecule <smiles>C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O</smiles> is an organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. It has the role of antimicrobial agent. It has the role of antibacterial agent. It has the role of bacterial metabolite. 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 <smiles>C[C@H]1CCC[C@]2(C)C(=O)\C(CC[C@]12C)=C/C(O)=O</smiles> is aignopsanoic acid A. It has the role of metabolite. It is also related to or classified as cyclohexanones.
The molecule <smiles>C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCC(=O)NC2=C3SS(=O)(=O)C=C3NC2=O)[C@H](O)[C@@H]1O</smiles> is A sulfone produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. It has the role of antimicrobial agent. It has the role of antibacterial agent. It has the role of bacterial metabolite. It is also related to or classified as lactam . It is also related to or classified as sulfone . It is also related to or classified as enoate ester .
The molecule <smiles>[H][C@]12CC=C[C@@]([H])(C\C=C/C(=O)O[C@H]3C[C@@]([H])(O[C@H]3\C=C\[C@@H]3CC(C)=CC(=O)O3)[C@@H](O)[C@@H](O)CC(=C)C[C@H](C)C1)O2</smiles> is fijianolide D. It has the role of metabolite. It is also related to or classified as macrolide .
The molecule <smiles>C[C@H](O)[C@H](C)\C=C\C[C@H]1CO[C@@H]([C@H](O)C(\C)=C\C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O</smiles> is an organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. It has the role of antimicrobial agent. It has the role of antibacterial agent. It has the role of marine metabolite. It has the role of bacterial metabolite. 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 cyclic ether, organosulfur heterocyclic compound.
The molecule <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC(=O)CC\C(C)=C/C(=O)O2)O1</smiles> is latrunculone B. It has the role of metabolite. It is also related to or classified as macrolide .
The molecule <smiles>CO\C(C)=C1\NC(=O)[C@@H](NC(=O)c2csc(n2)-c2cc(O)c(nc2-c2csc(n2)[C@@H]2COC(=O)c3c4CO[C@@H]([C@H](NC(=O)c5csc1n5)c1nc(cs1)C(=O)N2)[C@H](O[C@H]1C[C@]2(C)OCN(C)[C@@H]2[C@H](C)O1)C(=O)OCc1cccc(n3O)c41)-c1nc(cs1)C(=O)NC(=C)C(N)=O)[C@@H](C)O</smiles> is A  heterodetic cyclic peptide isolated from Amycolatopsis fastidiosa. It has the role of antimicrobial agent. It has the role of antibacterial agent. It has the role of bacterial metabolite. It is also related to or classified as heterodetic cyclic peptide.
The molecule <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/[C@H](OC)[C@@H](O)CC\C(C)=C/C(=O)O2)O1</smiles> is latrunculol B. It has the role of metabolite. It is also related to or classified as macrolide .
The molecule <smiles>O[C@H]1[C@H](Oc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1OS(O)(=O)=O)C(O)=O</smiles> is A  glycosyloxyflavone and a  monosaccharide sulfate that is the 8-O-beta-D-glucuronopyranoside-3''-O-sulfate derivative of  hypolaetin. It has been isolated from the seeds of Theobroma grandiflorum and has been shown to exhibit antioxidant activity. It has the role of antioxidant. It has the role of plant metabolite. Its functional parent is hypolaetin.   It is also related to or classified as glycosyloxyflavone . It is also related to or classified as glucosiduronic acid, monosaccharide sulfate.
The molecule <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)C(=O)\C=C\C(O)CC\C(C)=C/C(=O)O2)O1</smiles> is latrunculone A. It has the role of metabolite. It is also related to or classified as macrolide .
The molecule <smiles>C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCP(C)(O)=O)C(O)=O</smiles> is A tripeptide comprising one L-phosphinothricyl and two L-alanyl units joined in sequence. It has the role of antimicrobial agent. It has the role of bacterial metabolite.  It is also related to or classified as tripeptide . It is also related to or classified as phosphinic acids.
The molecule <smiles>C[C@@]1(O)CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CCO</smiles> is A  diterpenoid that is 13,14,15,16-tetranorlabdane substituted  by hydroxy grousp at positions 8, 12 and 18. It has been isolated from the aerial parts of Crassocephalum mannii and has been shown to exhibit COX-1 and COX-2 activity. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. It has the role of plant 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 triol.
The molecule <smiles>[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/[C@H](O)[C@@H](O)CC\C(C)=C/C(=O)O2)O1</smiles> is latrunculol A. It has the role of metabolite. It is also related to or classified as macrolide .
The molecule <smiles>C\C(CC\C=C(/C)CCC=C(CO)CO)=C/CC\C=C(/C)CC\C=C(/C)CCC=C(CO)CO</smiles> is A  triterpenoid that is  squalene substituted by four hydroxy groups. It is isolated from Rhus taitensis and has been shown to exhibit antimycobacterial activity. It has the role of metabolite. It has the role of antimycobacterial drug. It is also related to or classified as primary alcohol .  It is also related to or classified as triterpenoid . It is also related to or classified as tetrol.
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@H](CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)OS(O)(=O)=O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A  withanolide that is 2,3-dihydrowithaferin A substituted by a hydroxy group at position 19 and a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. It has the role of metabolite. It has the role of antineoplastic agent. It has the role of plant metabolite. Its functional parent is withaferin A.  It is also related to or classified as primary alcohol .  It is also related to or classified as delta-lactone . It is also related to or classified as secondary alcohol . It is also related to or classified as epoxy steroid, steroid sulfate, 19-hydroxy steroid, 27-hydroxy steroid, ergostanoid, 4-hydroxy steroid, withanolide.
The molecule <smiles>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)c(O)c(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A glycosyloxyflavone that is 3,5,6,7,4'-pentahydroxyflavonol substituted by a rutinosyl group at position 3 via a glycosidic linkage. Isolated from  Daphniphyllum calycinum, it exhibits antioxidant activity. It has the role of metabolite. It has the role of radical scavenger. It is also related to or classified as rutinoside . It is also related to or classified as tetrahydroxyflavone . It is also related to or classified as glycosyloxyflavone . It is also related to or classified as disaccharide derivative.
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@H]5CC(=O)[C@](C)([C@H]3CC[C@]12C)[C@@]4(O)[C@H]5O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 3,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 5 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite. It has the role of plant metabolite. It is also related to or classified as primary alcohol . It is also related to or classified as delta-lactone . It is also related to or classified as secondary alcohol . It is also related to or classified as cyclic ether, 27-hydroxy steroid, 5beta-hydroxy steroid, ergostanoid, 4-hydroxy steroid, withanolide.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is A flavanone glycoside that is (2S)-5,7,3',5'-tetrahydroxyflavanone attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Isolated from Jasminum lanceolarium, it exhibits radical scavenging activity. It has the role of metabolite. It has the role of radical scavenger. It is also related to or classified as beta-D-glucoside . It is also related to or classified as trihydroxyflavanone, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)CCC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is the 2,3-dihydro derivative of withaferin A. It has been isolated from the aerial parts of Physalis longifolia. It has the role of plant metabolite. Its functional parent is withaferin A.  It is also related to or classified as primary alcohol . It is also related to or classified as delta-lactone . It is also related to or classified as secondary alcohol . It is also related to or classified as epoxy steroid, 27-hydroxy steroid, ergostanoid, 4-hydroxy steroid, withanolide.
The molecule <smiles>CC(C)=CCc1c(O)c(O)c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C</smiles> is A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 4, 6 and 8 and prenyl groups at positions 1, 2 and 5. Isolated from Garcinia xanthochymus, it exhibits enhancement of nerve growth factor-mediated neurite outgrowth in PC12D cells. It has the role of metabolite. It has the role of nerve growth factor stimulator. It is also related to or classified as phenols . It is also related to or classified as xanthones.
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@H](CC(=O)[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. It has the role of metabolite. It has the role of antineoplastic agent. It has the role of plant metabolite. Its functional parent is withaferin A.  It is also related to or classified as primary alcohol .  It is also related to or classified as delta-lactone . It is also related to or classified as epoxy steroid, steroid sulfate, 27-hydroxy steroid, ergostanoid, 4-hydroxy steroid, withanolide.
The molecule <smiles>CC(C)=CCc1c(O)c(O)ccc1-c1coc2cc(O)cc(O)c2c1=O</smiles> is A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with additional hydroxy groups at positions 5, 3' and 4' and a prenyl group at position 2'. Isolated from the roots of Psorothamnus arborescens, it exhibits antileishmanial activity. It has the role of metabolite. It has the role of antileishmanial agent. It is also related to or classified as 7-hydroxyisoflavones .
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@@H](O)CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 3, 4 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia. It has the role of plant metabolite.  It is also related to or classified as primary alcohol . It is also related to or classified as delta-lactone . It is also related to or classified as 3beta-hydroxy steroid .     It is also related to or classified as secondary alcohol . It is also related to or classified as epoxy steroid, 27-hydroxy steroid, ergostanoid, 4-hydroxy steroid, withanolide.
The molecule <smiles>[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3cccc(CC=C(C)C)c3c1C2</smiles> is A natural product found in Albophoma yamanashiensis. It has the role of metabolite. It has the role of EC 2.3.1.26 (sterol O-acyltransferase) inhibitor. It is also related to or classified as tertiary alcohol . It is also related to or classified as epoxide . It is also related to or classified as organic heterooctacyclic compound, cyclic acetal.
The molecule <smiles>CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C[C@H]3O[C@@]23[C@H]1O)[C@H](C)[C@H]1CC(C)=C(CO)C(=O)O1</smiles> is A withanolide that is 2,3-dihydrowithaferin A substituted by a beta-methoxy group at position 3. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite. It has the role of plant metabolite. Its functional parent is withaferin A.  It is also related to or classified as primary alcohol . It is also related to or classified as delta-lactone . It is also related to or classified as secondary alcohol . It is also related to or classified as epoxy steroid, 27-hydroxy steroid, ergostanoid, 4-hydroxy steroid, withanolide.
The molecule <smiles>[H][C@@]12CC[C@]3(O)[C@](C)(CC=C4O[C@@]5([H])[C@@]([H])(O[C@@H](OC5(C)C)C=C(C)C)[C@@]5([H])O[C@@]345)[C@@]1(C)c1[nH]c3ccccc3c1C2</smiles> is an organic heteroheptacyclic compound isolated from Albophoma yamanashiensis and has been shown to exhibit inhibitory activity against acyl-CoA:cholesterol acyltransferase. It has the role of metabolite. It has the role of EC 2.3.1.26 (sterol O-acyltransferase) inhibitor. It is also related to or classified as tertiary alcohol . It is also related to or classified as epoxide . It is also related to or classified as organic heterooctacyclic compound, cyclic acetal.
The molecule <smiles>C[C@](N)(Cc1ccc(O)cc1)C(O)=O</smiles> is an L-tyrosine derivative that consists of L-tyrosine bearing an additional methyl substituent at position 2. An inhibitor of the enzyme tyrosine 3-monooxygenase, and consequently of the synthesis of catecholamines. It is used to control the symptoms of excessive sympathetic stimulation in patients with pheochromocytoma. It has the role of antihypertensive agent. It has the role of EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor. It is also related to or classified as L-tyrosine derivative, non-proteinogenic L-alpha-amino acid.
The molecule <smiles>[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@@H]([C@@H](O)[C@@]5([H])O[C@@]345)C(C)(C)OCC=C(C)C)[C@@]1(C)c1[nH]c3ccccc3c1C2</smiles> is an organic heteroheptacyclic compound isolated from Albophoma yamanashiensis and has been shown to exhibit inhibitory activity against acyl-CoA:cholesterol acyltransferase. It has the role of metabolite. It has the role of EC 2.3.1.26 (sterol O-acyltransferase) inhibitor. It is also related to or classified as tertiary alcohol . It is also related to or classified as epoxide . It is also related to or classified as secondary alcohol . It is also related to or classified as organonitrogen heterocyclic compound, secondary amino compound, organic heteroheptacyclic compound.
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1</smiles> is A  withanolide saponin that consists of withaferin A attached to a beta-D-glucopyranosyl residue at position 27 via a glycosidic linkage. Isolated from Physalis longifolia, it exhibits antineoplastic activity. It has the role of antineoplastic agent. It has the role of plant metabolite. Its functional parent is withaferin A.  It is also related to or classified as delta-lactone . It is also related to or classified as beta-D-glucoside . 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 epoxy steroid, ergostanoid, 4-hydroxy steroid, monosaccharide derivative, withanolide saponin.
The molecule <smiles>OC[C@H]1O[C@@H](OCCc2cc(O)c(O)cc2O)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> is A beta-D-glucoside with 2-(2,4,5-trihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant. It has the role of metabolite. It is also related to or classified as beta-D-glucoside . It is also related to or classified as carboxylic ester . It is also related to or classified as catechols . It is also related to or classified as monosaccharide derivative, phenylethanoid.
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC(=O)C4=C(CC[C@@H](O)C4)[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> is A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite. It has the role of plant metabolite. It is also related to or classified as delta-lactone . It is also related to or classified as beta-D-glucoside . It is also related to or classified as 3alpha-hydroxy steroid . It is also related to or classified as steroid saponin, monosaccharide derivative.
The molecule <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O</smiles> is A beta-D-glucoside with 2-(4-hydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant. It has the role of metabolite. It is also related to or classified as beta-D-glucoside . It is also related to or classified as carboxylic ester . It is also related to or classified as catechols . It is also related to or classified as monosaccharide derivative, phenylethanoid.
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@]12C)C(=O)C[C@H](O)C4)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> is A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite. It has the role of plant metabolite. It is also related to or classified as delta-lactone . It is also related to or classified as beta-D-glucoside . It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as steroid saponin, monosaccharide derivative.
The molecule <smiles>O[C@H]1[C@H](O)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1COC(=O)Cc1ccc(O)c(O)c1</smiles> is A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant. It has the role of metabolite. It is also related to or classified as beta-D-glucoside . It is also related to or classified as carboxylic ester . It is also related to or classified as catechols . It is also related to or classified as monosaccharide derivative, phenylethanoid.
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C([C@H]3CC[C@]12C)C(=O)C[C@H](O)C4)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> is A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite. It has the role of plant metabolite. It is also related to or classified as delta-lactone . It is also related to or classified as beta-D-glucoside . It is also related to or classified as 3beta-hydroxy steroid . It is also related to or classified as 6alpha-hydroxy steroid, steroid saponin, monosaccharide derivative.
The molecule <smiles>OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](OC(=O)Cc2ccc(O)c(O)c2)[C@@H]1O</smiles> is A beta-D-glucoside with 2-(3,4-dihydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 3. Isolated from Ternstroemia japonica, it exhibits antioxidant activity. It has the role of antioxidant. It has the role of metabolite. It is also related to or classified as beta-D-glucoside . It is also related to or classified as carboxylic ester . It is also related to or classified as catechols . It is also related to or classified as monosaccharide derivative, phenylethanoid.
The molecule <smiles>C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)c4cccc(O)c4[C@H]3CC[C@]12C)[C@H]1CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C)C(=O)O1</smiles> is A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia. It has the role of metabolite. It has the role of plant metabolite. It is also related to or classified as delta-lactone . It is also related to or classified as beta-D-glucoside . It is also related to or classified as 6alpha-hydroxy steroid, steroid saponin, monosaccharide derivative, 1-hydroxy steroid.