input word = C00021292

Metabolite InformationStructural formula
Name Acetylvalerenolic acid
Formula C17H24O4
Mw 292.16745925
CAS RN 84638-55-1
C_ID C00021292 ,
InChIKey VBBXZFLAYWAXSK-IVGPXLMUNA-N
InChICode InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1
SMILES C1C[C@H]([C@@H]2C(=C(C[C@H]2OC(=O)C)C)[C@@H]1/C=C(/C(=O)O)\C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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OrganismValeriana officinalis
ReferenceStoll,Justus Liebigs Ann. Chem.,603,(1957),158