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 C1(=C[C@@H]2C(=CC[C@H]3[C@]2(C(=O)C[C@]2([C@]3(C[C@H]([C@@H]2[C@@](C(=O)CCC(C)(C)O)(C)O)O)C)C)C)C(C1=O)(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
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