input word = C00064063

Metabolite InformationStructural formula
Name Homodidrovaltrate
Formula C23H34O8
Mw 438.22536806
CAS RN 18361-41-6
C_ID C00064063
InChIKey NQYKVDKWBKOHRD-WQWNQLIZSA-N
InChICode InChI=1S/C23H34O8/c1-6-14(4)8-20(26)31-22-21-17(9-18(30-15(5)24)23(21)12-29-23)16(11-28-22)10-27-19(25)7-13(2)3/h11,13-14,17-18,21-22H,6-10,12H2,1-5H3/t14?,17?,18-,21?,22-,23?/m0/s1
SMILES CCC(C)CC(=O)OC1OC=C(COC(=O)CC(C)C)C2CC(OC(C)=O)C3(CO3)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana jatamansi Ref.
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