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Cynarasaponin E

PropertiesImageOccurences in reactions
MNX_IDMNXM124130Image of MNXM124130
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC42H66O15
charge0
mass810.44017
referencehmdb:HMDB0039562
InChIKeyUHQNVKKALWJDQL-UHFFFAOYSA-N
InChIInChI=1S/C42H66O15/c1-19-9-14-42(37(53)57-35-31(49)28(46)27(45)22(17-43)54-35)16-15-40(5)21(26(42)20(19)2)7-8-24-38(3)12-11-25(39(4,18-44)23(38)10-13-41(24,40)6)55-36-32(50)29(47)30(48)33(56-36)34(51)52/h7,19-20,22-33,35-36,43-50H,8-18H2,1-6H3,(H,51,52)
SMILESCC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1C
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0039562 Cynarasaponin E
3,4,5-Trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-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}oxane-2-carboxylate
3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-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}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxy}oxane-2-carboxylic acid
hmdb:HMDB39562 secondary/obsolete/fantasy identifier