input word = C00048232

Metabolite InformationStructural formula
Name Volvaltrate A
Formula C17H24O8
Mw 356.14711774
CAS RN 1181224-12-3
C_ID C00048232 ,
InChIKey FZPVNGODHKVGGJ-JCCMSXQLNA-N
InChICode InChI=1S/C17H24O8/c1-8(2)5-12(19)24-15-13-16(20)6-11(23-10(4)18)17(13,21)7-22-14(25-15)9(16)3/h8,11,13-15,20-21H,3,5-7H2,1-2,4H3/t11-,13-,14+,15+,16-,17-/m0/s1
SMILES [C@H]1(O[C@H]2OC[C@]3([C@@H]1[C@@](C[C@@H]3OC(=O)C)(O)C2=C)O)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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