input word = C00037380

Metabolite InformationStructural formula
Name Khekadaengoside I
(-)-Khekadaengoside I
Formula C36H52O11
Mw 660.3509625
CAS RN 415711-10-3
C_ID C00037380 ,
InChIKey YROWDXFQJCHNIN-WJLAZFGUNA-N
InChICode InChI=1S/C36H52O11/c1-16(2)11-19-30(43)36(8,44)28-21(45-19)13-33(5)23-10-9-17-18(35(23,7)24(38)14-34(28,33)6)12-20(29(42)32(17,3)4)46-31-27(41)26(40)25(39)22(15-37)47-31/h9,11-12,18-19,21-23,25-28,30-31,37,39-41,43-44H,10,13-15H2,1-8H3/t18-,19+,21-,22-,23+,25-,26+,27-,28+,30-,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]3[C@@H]2[C@@]([C@@H]([C@H](C=C(C)C)O3)O)(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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
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