input word = C00057835

Metabolite InformationStructural formula
Name Volvalerenic acid A
Formula C15H22O2
Mw 234.16197995
CAS RN 1247014-34-1
C_ID C00057835
InChIKey BBGNZFMMXLMZRC-DXKAXRHTSA-N
InChICode InChI=1S/C15H22O2/c1-10-5-4-6-11(14(16)17)9-13-12(8-7-10)15(13,2)3/h5,9,12-13H,4,6-8H2,1-3H3,(H,16,17)/b10-5+,11-9-/t12-,13+/m0/s1
SMILES C/C1=CCC/C(C(=O)O)=C/[C@@H]2[C@H](CC1)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis var. latifolia Ref.
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