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Licoricesaponin K2

PropertiesImageOccurences in reactions
MNX_IDMNXM127330Image of MNXM127330
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC42H62O16
charge0
mass822.40379
referencehmdb:HMDB0039250
InChIKeyIPBGQSWRSQPGCF-UHFFFAOYSA-N
InChIInChI=1S/C42H62O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7-8,21-31,34-35,43-48H,9-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)
SMILESCC1(C(=O)O)CCC2(C)CCC3(C)C(=C2C1)C=CC1C2(C)CCC(OC4OC(C(=O)O)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)C(C)(CO)C2CCC13C
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0039250 Licoricesaponin K2
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-{[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid
6-[(6-Carboxy-2-{[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
hmdb:HMDB39250 secondary/obsolete/fantasy identifier