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Betavulgaroside IX

PropertiesImageOccurences in reactions
MNX_IDMNXM119770Image of MNXM119770
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC52H80O24
charge0
mass1088.50395
referencehmdb:HMDB0034869
InChIKeySNRZYTINECPXAE-UHFFFAOYSA-N
InChIInChI=1S/C52H80O24/c1-47(2)14-16-52(46(68)76-43-34(61)32(59)31(58)25(19-53)71-43)17-15-50(6)22(23(52)18-47)8-9-27-49(5)12-11-28(48(3,4)26(49)10-13-51(27,50)7)72-44-36(63)37(35(62)38(74-44)40(64)65)73-45(70-21-29(55)56)39(41(66)67)75-42-33(60)30(57)24(54)20-69-42/h8,23-28,30-39,42-45,53-54,57-63H,9-21H2,1-7H3,(H,55,56)(H,64,65)(H,66,67)
SMILESCC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC(OCC(=O)O)C(OC7OCC(O)C(O)C7O)C(=O)O)C6O)C(C)(C)C5CCC43C)C2C1
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0034869 Betavulgaroside IX
6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-[2-carboxy-1-(carboxymethoxy)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]ethoxy]-3,5-dihydroxyoxane-2-carboxylate
6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-[2-carboxy-1-(carboxymethoxy)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]ethoxy]-3,5-dihydroxyoxane-2-carboxylic acid
6-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-[2-carboxy-1-(carboxymethoxy)-2-[(3,4,5-trihydroxyoxan-2-yl)oxy]ethoxy]-3,5-dihydroxyoxane-2-carboxylic acid
hmdb:HMDB34869 secondary/obsolete/fantasy identifier