input word = C00037377

Metabolite InformationStructural formula
Name Khekadaengoside D
(-)-Khekadaengoside D
Formula C36H54O12
Mw 678.36152719
CAS RN 415711-02-3
C_ID C00037377 ,
InChIKey MNDSHGJSXPOSMP-IQIUZJGZNA-N
InChICode InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-23,25-28,30,37-39,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21-,22+,23+,25-,26+,27-,28+,30-,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@H](/C=C/C(C)(C)O)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)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeTrichosanthes tricuspidata Ref.
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