Chemical Formula: C21H34O8
Chemical Formula C21H34O8
Found 50 metabolite its formula value is C21H34O8
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside
2-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is found in potato. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is isolated from potatoes infected with Phoma exigu Isolated from potatoes infected with Phoma exigua. (4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside is found in potato.
(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside
2-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one
(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is found in potato. (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is a constituent of potato tubers infected with Phoma foveata and Fusarium species. Constituent of potato tubers infected with Phoma foveata and Fusarium subspecies (4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside is found in potato.
2-(12-O-beta-D-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one
2-(2-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one
2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one can be found in potato, which makes 2-(12-o-beta-d-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one a potential biomarker for the consumption of this food product.
(1beta,7beta,8beta,10beta)-8,11-dihydroxy-4-guaien-3-one 8-O-beta-D-glucopyranoside|torilolone 8-O-beta-D-glucopyranoside
(1beta,7beta,8beta,10beta)-8,11-dihydroxy-4-guaien-3-one 8-O-beta-D-glucopyranoside|torilolone 8-O-beta-D-glucopyranoside
pseudoguaian-1alpha(H)-8alpha,12-olide-4beta-O-beta-D-glucopyranoside
pseudoguaian-1alpha(H)-8alpha,12-olide-4beta-O-beta-D-glucopyranoside
eudesman-8beta,12-olide-1-O-beta-D-glucopyranoside
eudesman-8beta,12-olide-1-O-beta-D-glucopyranoside
(1R,7R,10S)-7-hydroxy-11-O-beta-D-glucopyranosyl-4-guaien-3-one
(1R,7R,10S)-7-hydroxy-11-O-beta-D-glucopyranosyl-4-guaien-3-one
10-hydroxy-2,6,10-trimethyl-2E,6E,11-dodecatrienoic acid 10-O-beta-d-glucopyranoside
10-hydroxy-2,6,10-trimethyl-2E,6E,11-dodecatrienoic acid 10-O-beta-d-glucopyranoside
(7R,10R)-10,11-dihydro-10,11-dihydroxyxanthorrhizol 3-O-beta-D-glucopyranoside|5-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]-2-methylphenyl beta-D-glucopyranoside
(7R,10R)-10,11-dihydro-10,11-dihydroxyxanthorrhizol 3-O-beta-D-glucopyranoside|5-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]-2-methylphenyl beta-D-glucopyranoside
(1beta,7beta,8beta,10beta)-8,11-dihydroxy-4-guaien-3-one 11-O-beta-D-glucopyranoside|torilolone 11-O-beta-D-glucopyranoside
(1beta,7beta,8beta,10beta)-8,11-dihydroxy-4-guaien-3-one 11-O-beta-D-glucopyranoside|torilolone 11-O-beta-D-glucopyranoside
methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate
methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate
methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate
methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate
methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate
methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate
(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside
2-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one
(4R,5S,7R,11S)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 11-glucoside
2-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-6,10-dimethylspiro[4.5]dec-6-en-8-one
2-(12-O-beta-D-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one
2-(12-O-beta-D-glucosyl-11-hydroxy-11-methylethyl)-6,10-dimethylspiro[4.5]-dec-6-en-8-one
5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one
5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one
3,7-dimethyl-6-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
3,7-dimethyl-6-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
(3s,3ar,7s,8ar)-3,7-dimethyl-6-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
(3s,3ar,7s,8ar)-3,7-dimethyl-6-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
(3r,3ar,7s,8ar)-3,7-dimethyl-6-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
(3r,3ar,7s,8ar)-3,7-dimethyl-6-[(3r)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-3h,3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
(3s,3as,6r,6as,9s,9ar,9br)-3,6,9a-trimethyl-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[4,5-b]furan-2-one
(3s,3as,6r,6as,9s,9ar,9br)-3,6,9a-trimethyl-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[4,5-b]furan-2-one
3,4a,8-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[6,5-b]furan-2-one
3,4a,8-trimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[6,5-b]furan-2-one
(3r,3ar,4as,5s,8s,8ar,9ar)-3,5,8a-trimethyl-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,3-b]furan-2-one
(3r,3ar,4as,5s,8s,8ar,9ar)-3,5,8a-trimethyl-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,3-b]furan-2-one
aeginetic acid 5-O-β-D-quinovoside
NA
{"Ingredient_id": "HBIN014750","Ingredient_name": "aeginetic acid 5-O-\u03b2-D-quinovoside","Alias": "NA","Ingredient_formula": "C21H34O8","Ingredient_Smile": "CC1C(C(C(C(O1)OC2(CCCC(C2(C=CC(=CC(=O)O)C)O)(C)C)C)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35195","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,5s,10r)-2-[(2s)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one
(2r,5s,10r)-2-[(2s)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one
(2e,4e)-5-[(1r,6r)-1-hydroxy-2,2,6-trimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]-3-methylpenta-2,4-dienoic acid
(2e,4e)-5-[(1r,6r)-1-hydroxy-2,2,6-trimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]-3-methylpenta-2,4-dienoic acid
3,5,8a-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,3-b]furan-2-one
3,5,8a-trimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,3-b]furan-2-one
3,6,9a-trimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[4,5-b]furan-2-one
3,6,9a-trimethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[4,5-b]furan-2-one
(4r,4ar,7r)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6,7,8-hexahydronaphthalen-2-one
(4r,4ar,7r)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6,7,8-hexahydronaphthalen-2-one
(3s,3ar,4as,5s,7as,8r,9as)-3,4a,8-trimethyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[6,5-b]furan-2-one
(3s,3ar,4as,5s,7as,8r,9as)-3,4a,8-trimethyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[6,5-b]furan-2-one
(1r,2s,3s,5s,6s,8s)-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one
(1r,2s,3s,5s,6s,8s)-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one
(2r,5s,10s)-2-[(2r)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one
(2r,5s,10s)-2-[(2r)-2-hydroxy-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl]-6,10-dimethylspiro[4.5]dec-6-en-8-one
5-[(1r,6r)-1-hydroxy-2,2,6-trimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]-3-methylpenta-2,4-dienoic acid
5-[(1r,6r)-1-hydroxy-2,2,6-trimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}cyclohexyl]-3-methylpenta-2,4-dienoic acid
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6,7,8-hexahydronaphthalen-2-one
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6,7,8-hexahydronaphthalen-2-one
(3ar,4s,7s)-7-hydroxy-1,4-dimethyl-7-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-3,3a,4,5,6,8-hexahydroazulen-2-one
(3ar,4s,7s)-7-hydroxy-1,4-dimethyl-7-(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-3,3a,4,5,6,8-hexahydroazulen-2-one
(1r,2s,3s,5s,6s,8r)-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one
(1r,2s,3s,5s,6s,8r)-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one
(1s,2r,3s,5r,6r,8s)-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one
(1s,2r,3s,5r,6r,8s)-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-3-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[4.4.0.0²,⁸]decan-7-one
(3s,3as,5ar,6r,9r,9as,9bs)-3,5a-dimethyl-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydro-2h-naphtho[1,2-b]furan-9-carbaldehyde
(3s,3as,5ar,6r,9r,9as,9bs)-3,5a-dimethyl-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydro-2h-naphtho[1,2-b]furan-9-carbaldehyde
(3s,3as,4ar,5s,7as,8r,9as)-3,4a,8-trimethyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[6,5-b]furan-2-one
(3s,3as,4ar,5s,7as,8r,9as)-3,4a,8-trimethyl-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydroazuleno[6,5-b]furan-2-one
(2s,3r,4s,5r,6r)-2-({2-[(1s,4r,7r,10s)-10-hydroxy-7-methyl-12-oxatricyclo[5.3.2.0¹,⁶]dodec-5-en-4-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5r,6r)-2-({2-[(1s,4r,7r,10s)-10-hydroxy-7-methyl-12-oxatricyclo[5.3.2.0¹,⁶]dodec-5-en-4-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol