Chemical Formula: C51H82O23
Chemical Formula C51H82O23
Found 86 metabolite its formula value is C51H82O23
Avenacoside A
A steroid saponin obtained from grain and leaves of oats (Avena sativa) that is nuatigenin in which the hydroxy group at position 26 is converted into its beta-D-glucoside and in which the hydroxy group at position 3 is converted into its methyl alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside derivative.
26-Desglucoavenacoside B
A steroid saponin that is avenacoside B lacking the 26-O-glucosyl residue.
Avenacoside A
Avenacoside A is found in cereals and cereal products. Avenacoside A is a constituent of Avena sativa (oats).
26-Desglucoavenacoside B
26-Desglucoavenacoside B is found in cereals and cereal products. 26-Desglucoavenacoside B is a constituent of Avena sativa (oats). Constituent of Avena sativa (oats). 26-Desglucoavenacoside B is found in oat and cereals and cereal products.
Deltoside
Deltoside is found in root vegetables. Deltoside is a constituent of the wild yam Dioscorea deltoidea. Constituent of the wild yam Dioscorea deltoidea. Deltoside is found in root vegetables.
Spirostane + 2O, -2H, O-Hex, O-Hex-dHex-dHex
Annotation level-3
(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5S,7R,9S,13R,16S)-5,7,9,13-tetramethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[oxolane-2,6-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18-eneoxy]oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
25(R,S)-dracaenoside Q|26-O-beta-D-glucopyranosyl 25(R,S)-furost-5,20(22)-dien-3beta,14alpha,26-triol 3-O-alpha-L-rhamnopyranosyl-(1,2)-[beta-D-glucopyranosyl-(1,3)]-beta-D-glucopyranoside
(23S)-3??-[(O-??-D-Apiofuranosyl-(1鈥樏傗垎2)-O-??-D-glucopyranosyl-(1鈥樏傗垎2)-??-L-arabinopyranosyl-(1鈥樏傗垎6)-??-D-glucopyranosyl)oxy]-17??,23-epoxy-28,29-dihydroxy-27-norlanost-8-en-24-one
3-O-alpha-L-rhamnopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-beta-D-glalactopyranosyl-nuatigenin 26-O-beta-D-glucopyranoside|solaviaside C
(25R)-26-O-beta-D-glucopyranosyl-5-enefurostan-2-one-3alpha,22alpha,26-triol-3-O-alpha-L-rhamnopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside|fistulosaponin C
26-O-beta-D-glucopyranosyl-(25S)-5alpha-furostan-20(22)-en-12-one-3beta,26-diol 3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-galactopyranoside
(22R,25S)-spirost-5-en-3beta,15alpha-diol 3-O-{beta-D-glucopyranosyl (1-2)-beta-D-glucopyranosyl-(1-4)-[alpha-L-rhamnopyranosyl-(1-2)]-beta-D-galactopyranoside}|luciamin
isonarthogenin 3-O-3)-O-alpha-L-rhamnopyranosyl-(1->2)-O-4)>-beta-D-glucopyranoside>
(25R)-26-O-beta-D-glucopyranosyl-5-enefurostan-2-one-3beta,22alpha,26-triol-3-O-alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside|fistulosaponin B
(24S,25S)-17alpha,24,25-trihydroxyspirost-5-en-3beta-yl-O-alpha-L-rhamnopyranosyl-(1?4)-alpha-L-rhamnopyranosyl-(1?4)-[alpha-L-rhamnopyranosyl-(1?2)]-beta-D-glucopyranoside|dioscoreanoside G
(23S)-17alpha,23-epoxy-3beta,16beta,29-trihydroxy-27-nor-lanost-8-ene-24-one 3-O-beta-D-apiofuranosyl-(1?2)-O-beta-D-glucopyranosyl-(1?2)-O-alpha-L-arabinopyranosyl-(1?6)-beta-D-glucopyranoside|scillanostaside I
23-O-beta-D-glucopyranosyl-(23S)-spirost-5-en-3beta,23alpha,27-triol-3-O-alpha-L-rhamnopyranosyl-(1?2)-[alpha-L-rhamnopyranosyl-(1?4)]-beta-D-glucopyranoside|chonglouoside SL-3
27-O-beta-D-glucopyranosyl-(23S)-spirost-5-en-3beta,23alpha,27-triol-3-O-alpha-L-rhamnopyranosyl-(1?2)-[alpha-L-rhamnopyranosyl-(1?4)]-beta-D-glucoyranoside|chonglouoside SL-4
26-O-beta-D-glucopyranosylnuatigenin 3-O-{alpha-L-rhamnopyranosyl-(1?2)-[beta-D-glucopyranosyl-(1?6)]}-beta-D-glucopyranoside
(23S,25S)-17alpha,23,25-trihydroxyspirost-5-en-3beta-yl-O-alpha-L-rhamnopyranosyl-(1?4)-alpha-L-rhamnopyranosyl-(1?4)-[alpha-L-rhamnopyranosyl-(1?2)]-beta-D-glucopyranoside|dioscoreanoside D
(25R)-26-O-[(beta-D-glucopyranosyl-(1?2)-beta-D-glucopyranosyl)]-14-hydroxy-furost-5,20(22)-diene 3-O-[alpha-L-rhamnopyranosyl-(1?2)]-beta-D-glucopyranoside|furostanol saponin ophiopogonin J
26-O-[beta-D-glucopyranosyl-(1?2)]-beta-D-glucopyranosylnuatigenin 3-O-[alpha-L-rhamnopyranosyl-(1?2)]-beta-D-glucopyranoside
16beta-[[(4S)-5-(beta-D-glucopyranosyloxy)-4-methyl-1-oxopentyl]oxy]-3beta-[(O-alpha-L-rhamnopyranosyl-(1?2)-O-[alpha-L-rhamnopyranosyl-(1?3)]-beta-D-glucopyranosyl)oxy]pregn-5-en-20-one
solasodine 3-O-alpha-L-rhamnopyranosyl-O-[beta-D-glucopyranosyl]-beta-D-glucopyranoside
26-O-beta-D-glucopyranosyl-22-O-methylfurosta-5,25(27)-diene-1beta,3beta,22xi,26-tetrol 1-O-[O-beta-D-glucopyranosyl-(1-->3)-O-alpha-L-rhamnopyranosyl-(1-->2)-alpha-L-arabinopyranoside]|26-O-beta-D-glucopyranosyl-22alpha-methoxyfurosta-5,25(27)-diene-1beta,3beta,26-triol 1-O-[beta-D-glucopyranosyl-(1->3)-O-alpha-L-rhamnopyranosyl-(1->2)-O-alpha-L-arabinopyranoside]
3beta-[(O-beta-D-glucopyranosyl)(1->6)-beta-D-glucopyranosyl)oxy)]-17alpha-hydroxy-16beta-[(O-beta-D-xylopyranosyl)-(1->3)-2-O-acetyl-alpha-L-arabinopyranosyl)oxy]cholest-5-en-22-one
3-O-[alpha-L-rhamnopyranosyl(1->2)]-[beta-D-glucopyranosyl(1->3)]-beta-D-glucopyranosyl-26-O-beta-D-glucopyranosyl cholest-5-ene-16,22-dione
3-O-beta-charcotriosyl-26-O-beta-D-glucopyranosyl-(22S,23S,25R,26S)-3beta,22alpha,26-trihydroxy-furost-5-en-23,26-epoxide|solasodoside F
(25R)-26-[(beta-D-glucopyranosyl)oxy]-12alpha-hydroxy-3beta-[(O-alpha-L-rhamnopyranosyl-(1->2)-[O-alpha-L-rhamnopyranosyl(1->4)]-beta-D-glucopyranosyl)oxy]cholest-5-ene-16,22-dione
C51H82O23_(3beta,9xi,22S,25S)-26-(beta-D-Glucopyranosyloxy)-22,25-epoxyfurost-5-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside
Spirostane -2H, + 2O, O-Hex, O-Hex-dHex-dHex
Annotation level-3
(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5S,7R,9S,13R,16S)-5,7,9,13-tetramethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[oxolane-2,6-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18-eneoxy]oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol_major
(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5S,7R,9S,13R,16S)-5,7,9,13-tetramethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[oxolane-2,6-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18-eneoxy]oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol_68.4\\%
(2S,3R,4R,5R,6S)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5S,7R,9S,13R,16S)-5,7,9,13-tetramethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5-oxaspiro[oxolane-2,6-pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosan]-18-eneoxy]oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
3-O-(Rhaa1-3Glcb1-2Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol
Hypoglaucin G
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1S,4S,5S,6S,7R,9S,13R,16S)-5,7,9,13-tetramethyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-oxolane]-16-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
nuatigenin 3-O-{alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside}-26-O-beta-D-glucopyranoside
11-hydroxy-7-{[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-1-(6-methyl-3-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-1h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-one
1-[7-({6-[({3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6,6-bis(hydroxymethyl)-3',3a,9a,11a-tetramethyl-2,3,4,5,5a,7,8,9,10,11-decahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-5'-yl]propan-1-one
(1s,2s,4s,6r,7s,8r,9s,12s,13r,16r)-6-hydroxy-16-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-15-one
16-{[4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-10-one
(2r,3s,4r,5r,6s)-2-{[(2s,3s,4r,5r,6s)-4-hydroxy-6-(hydroxymethyl)-2-[(1's,2r,2'r,4'r,5r,7's,8's,9's,12'r,13'r,16's,20'r)-5,7',9',13'-tetramethyl-5-({[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-20'-oloxy]-5-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
5-hydroxy-2-{[1-hydroxy-9a,11a-dimethyl-1-(6-methyl-3-oxoheptan-2-yl)-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl acetate
(2s,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-[(1's,2s,2's,4's,5s,7's,8'r,9's,12's,13'r,16's,20'r)-5,7',9',13'-tetramethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-20'-oloxy]-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(23s)-3β-[(o-β-d-apiofuranosyl-(1→2)-o-β-d-glucopyranosyl-(1→2)-α-l-arabinopyranosyl-(1→6)-β-d-glucopyranosyl)oxy]-17α,23-epoxy-28,29-dihydroxy-27-norlanost-8-en-24-one
{"Ingredient_id": "HBIN004168","Ingredient_name": "(23s)-3\u03b2-[(o-\u03b2-d-apiofuranosyl-(1\u21922)-o-\u03b2-d-glucopyranosyl-(1\u21922)-\u03b1-l-arabinopyranosyl-(1\u21926)-\u03b2-d-glucopyranosyl)oxy]-17\u03b1,23-epoxy-28,29-dihydroxy-27-norlanost-8-en-24-one","Alias": "NA","Ingredient_formula": "C51H82O23","Ingredient_Smile": "CCC(=O)C1CC(C2(O1)CCC3(C2(CCC4=C3CCC5C4(CCC(C5(CO)CO)OC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(CO9)(CO)O)O)O)O)O)C)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1506","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(23s)-3β-[(o-β-d-apiofuranosyl-(1→2)-o-β-d-glucopyranosyl-(1→2)-o-α-l-arabinopyranos-yl-(1→6)-β-d-glucopyranosyl)oxy]-17α,23-epoxy-29-hydroxy-27-norlanost-8-ene-15,24-dione
{"Ingredient_id": "HBIN004169","Ingredient_name": "(23s)-3\u03b2-[(o-\u03b2-d-apiofuranosyl-(1\u21922)-o-\u03b2-d-glucopyranosyl-(1\u21922)-o-\u03b1-l-arabinopyranos-yl-(1\u21926)-\u03b2-d-glucopyranosyl)oxy]-17\u03b1,23-epoxy-29-hydroxy-27-norlanost-8-ene-15,24-dione","Alias": "NA","Ingredient_formula": "C51H82O23","Ingredient_Smile": "CCC(=O)C1CC(C2(O1)C(CC3(C2(CCC4=C3CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)COC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(CO9)(CO)O)O)O)O)O)C)C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1508","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,16-dihydroxypregn-5-en-20-one,9ci; (3β,16β)-form,3-o-[alpha-l-rhamnopyranosyl-(1→2)-[alpha-l-rhamnopyranosyl-(1→4)]-beta-d-glucopyranoside],16-o-[beta-d-glucopyranosyl-(→5)-5-hydroxy-4-methylpentanoyl]
{"Ingredient_id": "HBIN006967","Ingredient_name": "3,16-dihydroxypregn-5-en-20-one,9ci; (3\u03b2,16\u03b2)-form,3-o-[alpha-l-rhamnopyranosyl-(1\u21922)-[alpha-l-rhamnopyranosyl-(1\u21924)]-beta-d-glucopyranoside],16-o-[beta-d-glucopyranosyl-(\u21925)-5-hydroxy-4-methylpentanoyl]","Alias": "NA","Ingredient_formula": "C51H82O23","Ingredient_Smile": "NA","Ingredient_weight": "1063.18","OB_score": "NA","CAS_id": "221191-66-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8420","PubChem_id": "NA","DrugBank_id": "NA"}
abutiloside l
{"Ingredient_id": "HBIN014284","Ingredient_name": "abutiloside l","Alias": "NA","Ingredient_formula": "C51H82O23","Ingredient_Smile": "CC1C2C(CC3C2(CCC4C3C(C=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)O)C)OC19CCC(O9)(C)COC1C(C(C(C(O1)CO)O)O)O","Ingredient_weight": "1063.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "45","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101268563","DrugBank_id": "NA"}