input word = C00064077

Metabolite InformationStructural formula
Name Valeriananoid E
Formula C33H58O3
Mw 502.43859572
CAS RN 1897442-25-9
C_ID C00064077
InChIKey CXUKWXWNXCDESA-PXTZEBMUSA-N
InChICode InChI=1S/C33H58O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)36-29-25-32(5)27-24-28(29)31(3,4)33(32,35)23-22-26(27)2/h13-14,26-29,35H,6-12,15-25H2,1-5H3/b14-13-/t26-,27-,28-,29-,32-,33+/m0/s1
SMILES CCCCCCCCC=CCCCCCCCC(=O)OC1CC2(C)C3CC1C(C)(C)C2(O)CCC3C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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