Exact Mass: 910.529
Exact Mass Matches: 910.529
Found 26 metabolites which its exact mass value is equals to given mass value 910.529,
within given mass tolerance error 0.0002 dalton. Try search metabolite list with more accurate mass tolerance error
4.0E-5 dalton.
Rotundifolioside J
Rotundifolioside J
A triterpenoid saponin that consists of urs-11-ene substituted by an epoxy group across positions 13 and 28, a hydroxy group at position 16 and a alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-fucopyranosyloxy residue at position 3 (the 3beta,16alpha stereoisomer). Isolated from the fruits of Bupleurum rotundifolium, it exhibits antiproliferative activity against cancer cells.
(2r,3r,4r,5r,6s)-2-{[(2s,3r,4s,5r,6s)-2-{[(2s,3r,4s,5s,6s)-4,5-dihydroxy-2-{[(1s,2r,4s,5r,8s,10s,13s,14r,17s,18s)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2r,3r,4r,5r,6s)-2-{[(2s,3r,4s,5r,6s)-2-{[(2s,3r,4s,5s,6s)-4,5-dihydroxy-2-{[(1s,2r,4s,5r,8s,10s,13s,14r,17s,18s)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(1s,4s,6s,9s,10r,12r,13s,17r,18s)-6-{[(2r,4s,5r,6r)-5-{[(2s,4s,5s,6r)-4-hydroxy-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.0¹,¹⁰.0⁴,⁹.0¹³,¹⁷]icosan-14-one
(1s,4s,6s,9s,10r,12r,13s,17r,18s)-6-{[(2r,4s,5r,6r)-5-{[(2s,4s,5s,6r)-4-hydroxy-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.0¹,¹⁰.0⁴,⁹.0¹³,¹⁷]icosan-14-one
(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-2-{[(3s,4ar,6ar,6bs,8r,8as,14ar,14bs)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-2-{[(3s,4ar,6ar,6bs,8r,8as,14ar,14bs)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(1s,4s,6s,9s,10r,12r,13s,17r,18s)-6-{[(2r,4r,5r,6r)-5-{[(2s,4s,5s,6r)-4-hydroxy-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.0¹,¹⁰.0⁴,⁹.0¹³,¹⁷]icosan-14-one
(1s,4s,6s,9s,10r,12r,13s,17r,18s)-6-{[(2r,4r,5r,6r)-5-{[(2s,4s,5s,6r)-4-hydroxy-5-{[(2s,4r,5r,6r)-5-{[(2s,4r,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.0¹,¹⁰.0⁴,⁹.0¹³,¹⁷]icosan-14-one
2-[(2-{[4,5-dihydroxy-2-({2-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl}oxy)-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol
2-[(2-{[4,5-dihydroxy-2-({2-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl}oxy)-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol
11,13(18)-oleanadiene-3,16,28-triol; (3β,16α)-form,3-o-[alpha-l-rhamnopyranosyl-(1→2)-beta-d-glucopyranosyl-(1→2)-beta-d-fucopyranoside]
NA
{"Ingredient_id": "HBIN000268","Ingredient_name": "11,13(18)-oleanadiene-3,16,28-triol; (3\u03b2,16\u03b1)-form,3-o-[alpha-l-rhamnopyranosyl-(1\u21922)-beta-d-glucopyranosyl-(1\u21922)-beta-d-fucopyranoside]","Alias": "NA","Ingredient_formula": "C48H78O16","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "73548-39-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9407","PubChem_id": "NA","DrugBank_id": "NA"}
13,28-epoxy-11-oleanene-3,16-diol; (3β,13β,16α)-form,3-o-[alpha-l-rhamnopyranosyl-(1→2)-beta-d-glucopyranosyl-(1→2)-beta-d-fucopyranoside]
NA
{"Ingredient_id": "HBIN001008","Ingredient_name": "13,28-epoxy-11-oleanene-3,16-diol; (3\u03b2,13\u03b2,16\u03b1)-form,3-o-[alpha-l-rhamnopyranosyl-(1\u21922)-beta-d-glucopyranosyl-(1\u21922)-beta-d-fucopyranoside]","Alias": "NA","Ingredient_formula": "C48H78O16","Ingredient_Smile": "NA","Ingredient_weight": "911.12","OB_score": "NA","CAS_id": "73542-81-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9338","PubChem_id": "NA","DrugBank_id": "NA"}
6-[(5-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.0¹,¹⁰.0⁴,⁹.0¹³,¹⁷]icosan-14-one
6-[(5-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.0¹,¹⁰.0⁴,⁹.0¹³,¹⁷]icosan-14-one
6-[4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,7-dimethylocta-2,6-dien-1-yl]-5-{2,6-dimethyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hepta-1,5-dien-1-yl}-6-hydroxy-3a,7-dimethyl-hexahydroinden-4-one
6-[4-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,7-dimethylocta-2,6-dien-1-yl]-5-{2,6-dimethyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hepta-1,5-dien-1-yl}-6-hydroxy-3a,7-dimethyl-hexahydroinden-4-one
(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-6-{[(2r,3s,4s,5r,6r)-6-[(4as,6br,8ar,10r,12ar,12br,14bs)-10-hydroxy-2,2,6b,9,9,12a,14b-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14-tetradecahydropicene-4a-carbonyl]-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-6-{[(2r,3s,4s,5r,6r)-6-[(4as,6br,8ar,10r,12ar,12br,14bs)-10-hydroxy-2,2,6b,9,9,12a,14b-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14-tetradecahydropicene-4a-carbonyl]-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(3as,5r,6r,7r,7as)-6-[(2e,4s)-4-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,7-dimethylocta-2,6-dien-1-yl]-5-[(1e,3s)-2,6-dimethyl-3-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hepta-1,5-dien-1-yl]-6-hydroxy-3a,7-dimethyl-hexahydroinden-4-one
(3as,5r,6r,7r,7as)-6-[(2e,4s)-4-{[(2r,3r,4r,5r,6r)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,7-dimethylocta-2,6-dien-1-yl]-5-[(1e,3s)-2,6-dimethyl-3-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hepta-1,5-dien-1-yl]-6-hydroxy-3a,7-dimethyl-hexahydroinden-4-one
(2s,3r,4s,5s,6s)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-2-{[(1s,2r,4s,5r,8r,10s,13s,14r,17r,18r,19s,20r)-2-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4s,5s,6s)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-2-{[(1s,2r,4s,5r,8r,10s,13s,14r,17r,18r,19s,20r)-2-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
2-({2-[(4,5-dihydroxy-2-{[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy}-6-methyloxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol
2-({2-[(4,5-dihydroxy-2-{[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy}-6-methyloxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6s)-6-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-{[(1s,4s,5r,8r,9r,10s,13s,14r,17s,18r)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6s)-6-{[(2r,3r,4s,5s,6r)-3,5-dihydroxy-2-{[(1s,4s,5r,8r,9r,10s,13s,14r,17s,18r)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(3as,5r,6r,7r,7as)-6-[(2e,4s)-4-{[(2r,3r,4r,5r,6r)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,7-dimethylocta-2,6-dien-1-yl]-6-hydroxy-5-[(1e,3r)-3-hydroxy-2,6-dimethylhepta-1,5-dien-1-yl]-3a,7-dimethyl-hexahydroinden-4-one
(3as,5r,6r,7r,7as)-6-[(2e,4s)-4-{[(2r,3r,4r,5r,6r)-5-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,7-dimethylocta-2,6-dien-1-yl]-6-hydroxy-5-[(1e,3r)-3-hydroxy-2,6-dimethylhepta-1,5-dien-1-yl]-3a,7-dimethyl-hexahydroinden-4-one
(2s,3r,4s,5s,6s)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-2-{[(1s,2r,4s,5r,8r,10s,13s,14r,18r,19s,20r)-2-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4s,5s,6s)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-2-{[(1s,2r,4s,5r,8r,10s,13s,14r,18r,19s,20r)-2-hydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
6-(4-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,7-dimethylocta-2,6-dien-1-yl)-6-hydroxy-5-(3-hydroxy-2,6-dimethylhepta-1,5-dien-1-yl)-3a,7-dimethyl-hexahydroinden-4-one
6-(4-{[5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3,7-dimethylocta-2,6-dien-1-yl)-6-hydroxy-5-(3-hydroxy-2,6-dimethylhepta-1,5-dien-1-yl)-3a,7-dimethyl-hexahydroinden-4-one
2-[(2-{[4,5-dihydroxy-2-({2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl}oxy)-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol
2-[(2-{[4,5-dihydroxy-2-({2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl}oxy)-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-2-{[(1s,2r,4s,5r,8r,10s,13s,14r,17s,18r)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2s,3r,4s,5s,6r)-2-{[(2r,3r,4s,5r,6r)-4,5-dihydroxy-2-{[(1s,2r,4s,5r,8r,10s,13s,14r,17s,18r)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
