Chemical Formula: C54H88O27S
Chemical Formula C54H88O27S
Found 9 metabolite its formula value is C54H88O27S
holothurin A4 acid
holothurin A4 acid
A triterpenoid saponin that is a tetrasaccharide derivative of 3,12,17,24-tetrahydroxy-18,20-epoxylanost-9(11)-en-18-one.
[(3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,5R,6S,13S,16S,18R)-5,10-dihydroxy-6-(3-hydroxy-4-methylpentyl)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-16-yl]oxy]-4-hydroxyoxan-3-yl] hydrogen sulfate
[(3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,5R,6S,13S,16S,18R)-5,10-dihydroxy-6-(3-hydroxy-4-methylpentyl)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-16-yl]oxy]-4-hydroxyoxan-3-yl] hydrogen sulfate
[(3r,4as,6as,6bs,8s,8as,12ar,14as,14bs)-8a-({[(2r,3r,4s,5r,6r)-6-({[(2s,3r,4s,5s,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid
[(3r,4as,6as,6bs,8s,8as,12ar,14as,14bs)-8a-({[(2r,3r,4s,5r,6r)-6-({[(2s,3r,4s,5s,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-({[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid
[(3s,4ar,6ar,6bs,8r,8ar,12as,14ar,14br)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid
[(3s,4ar,6ar,6bs,8r,8ar,12as,14ar,14br)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid
3,16-dihydroxy-12-oleanen-28-oic acid; (3β,16α)-form,3-o-sulfate,28-o-[beta-d-glucopyranosyl-(1→6)-beta-d-glucopyranosyl-(1→2)-beta-d-glucopyranosyl-(1→6)-beta-d-glucopyranosyl] ester
NA
{"Ingredient_id": "HBIN006947","Ingredient_name": "3,16-dihydroxy-12-oleanen-28-oic acid; (3\u03b2,16\u03b1)-form,3-o-sulfate,28-o-[beta-d-glucopyranosyl-(1\u21926)-beta-d-glucopyranosyl-(1\u21922)-beta-d-glucopyranosyl-(1\u21926)-beta-d-glucopyranosyl] ester","Alias": "NA","Ingredient_formula": "C54H88O27S","Ingredient_Smile": "NA","Ingredient_weight": "1201.33","OB_score": "NA","CAS_id": "99633-17-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8440","PubChem_id": "NA","DrugBank_id": "NA"}
[(3s,4ar,6ar,6bs,8r,8ar,12as,14ar,14br)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid
[(3s,4ar,6ar,6bs,8r,8ar,12as,14ar,14br)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid
[(3s,4ar,6ar,6br,8r,8ar,12as,12bs,14ar,14bs)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,12b,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid
[(3s,4ar,6ar,6br,8r,8ar,12as,12bs,14ar,14bs)-8a-({[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}carbonyl)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,12b,14a-tetradecahydropicen-3-yl]oxidanesulfonic acid