input word = C00037381

Metabolite InformationStructural formula
Name Khekadaengoside J
(-)-Khekadaengoside J
Formula C42H64O16
Mw 824.419436
CAS RN 415711-11-4
C_ID C00037381 ,
InChIKey LJIPHELFYSCLEX-INBWSXDDNA-N
InChICode InChI=1S/C42H64O16/c1-17-26(45)28(47)30(49)35(54-17)58-31-29(48)27(46)23(16-43)57-36(31)56-20-12-19-18(37(2,3)33(20)50)10-11-24-39(6)13-21-32(40(39,7)15-25(44)42(19,24)9)41(8,53)14-22(55-21)34(51)38(4,5)52/h10,12,17,19,21-24,26-32,34-36,43,45-49,51-53H,11,13-16H2,1-9H3/t17-,19+,21+,22+,23+,24-,26-,27+,28+,29-,30+,31+,32-,34-,35-,36+,39-,40+,41-,42-/m0/s1
SMILES C1(=C[C@@H]2C(=CC[C@@H]3[C@]2(C(=O)C[C@]2([C@]3(C[C@@H]3[C@@H]2[C@@](C[C@H]([C@@H](C(C)(C)O)O)O3)(C)O)C)C)C)C(C1=O)(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
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OrganismTrichosanthes tricuspidata
ReferenceKanchanapoom,Phytochem.,59,(2002),215