input word = C00037375

Metabolite InformationStructural formula
Name Khekadaengoside B
(-)-Khekadaengoside B
Formula C42H64O17
Mw 840.41435062
CAS RN 415711-00-1
C_ID C00037375 ,
InChIKey WYARQSIYTLAQAA-VXMAFIPSNA-N
InChICode InChI=1S/C42H64O17/c1-37(2,54)12-11-25(46)42(8,55)33-20(45)14-39(5)24-10-9-18-19(41(24,7)26(47)15-40(33,39)6)13-21(34(53)38(18,3)4)56-35-31(52)29(50)32(23(17-44)58-35)59-36-30(51)28(49)27(48)22(16-43)57-36/h9,13,19-20,22-24,27-33,35-36,43-45,48-52,54-55H,10-12,14-17H2,1-8H3/t19-,20-,22-,23-,24-,27-,28+,29-,30-,31-,32-,33+,35-,36-,39+,40-,41+,42+/m1/s1
SMILES CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)C3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
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