input word = C00063927

Metabolite InformationStructural formula
Name Diavaltrate
Formula C19H24O8
Mw 380.14711774
CAS RN 152841-87-7
C_ID C00063927
InChIKey RTDRXRWLBFARMU-UHFFFAOYSA-N
InChICode InChI=1S/C19H24O8/c1-5-10(2)17(22)27-18-16-14(13(8-24-18)7-23-11(3)20)6-15(26-12(4)21)19(16)9-25-19/h6,8,10,15-16,18H,5,7,9H2,1-4H3
SMILES CCC(C)C(=O)OC1OC=C(COC(C)=O)C2=CC(OC(C)=O)C3(CO3)C21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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