input word = C00037376

Metabolite InformationStructural formula
Name Khekadaengoside C
(-)-Khekadaengoside C
Formula C36H52O11
Mw 660.3509625
CAS RN 415711-01-2
C_ID C00037376 ,
InChIKey STJBLNHSRWHURW-AXOCZJADNA-N
InChICode InChI=1S/C36H52O11/c1-17(2)9-12-24(39)36(8,45)29-20(38)14-33(5)23-11-10-18-19(35(23,7)25(40)15-34(29,33)6)13-21(30(44)32(18,3)4)46-31-28(43)27(42)26(41)22(16-37)47-31/h10,13,19-20,22-23,26-29,31,37-38,41-43,45H,1,9,11-12,14-16H2,2-8H3/t19-,20-,22-,23-,26-,27+,28-,29+,31-,33+,34-,35+,36+/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)(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)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
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