input word = C00064421

Metabolite InformationStructural formula
Name Isodidrovaltrate
Formula C22H32O8
Mw 424.209718
CAS RN 58560-51-3
C_ID C00064421
InChIKey KQEOKUJOWVGWDX-PNBTUHDLSA-N
InChICode InChI=1S/C22H32O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
SMILES CC(=O)OCC1=COC(OC(=O)CC(C)C)C2C1CC(OC(=O)CC(C)C)C21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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