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16-alpha-hydroxygypsogenate-28-beta-D-glucoside

MNXM14018 is deprecated and here replaced by MNXM728303
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM728303Image of MNXM728303
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC36H55O11
charge-1
mass663.37499
referencemetacycM:CPD-9477
InChIKeyHLXPBKFHRUAJIQ-IJOZASFTSA-M
InChIInChI=1S/C36H56O11/c1-31(2)13-14-36(30(45)47-28-27(42)26(41)25(40)20(17-37)46-28)19(15-31)18-7-8-21-32(3)11-10-23(38)35(6,29(43)44)22(32)9-12-33(21,4)34(18,5)16-24(36)39/h7,19-28,37-42H,8-17H2,1-6H3,(H,43,44)/p-1/t19?,20?,21?,22?,23-,24?,25+,26-,27-,28?,32+,33+,34+,35-,36+/m0/s1
SMILESCC1(C)CC[C@]2(C(=O)OC3OC(CO)[C@@H](O)[C@H](O)[C@@H]3O)C(O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)[O-])C5CC[C@]43C)C2C1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-9477
metacycM:CPD-9477 		16-alpha-hydroxygypsogenate-28-beta-D-glucoside
16-alpha--hydroxygypsogenic acid-28-beta-D-glucoside
seed.compound:cpd25699
seedM:cpd25699 		16-alpha--hydroxygypsogenic acid-28-beta-D-glucoside
16-alpha-hydroxygypsogenate-28-beta-D-glucoside
seedM:M_cpd25699 secondary/obsolete/fantasy identifier