input word = C00003197

Metabolite InformationStructural formula
Name Valerenic acid
Formula C15H22O2
Mw 234.16197995
CAS RN 3569-10-6
C_ID C00003197 ,
InChIKey FEBNTWHYQKGEIQ-XXEJRHQSNA-N
InChICode InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8-/t9-,12+,13-/m1/s1
SMILES [C@H]12C(=C(CC2)C)[C@@H](CC[C@H]1C)/C=C(/C)\C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana hardwickii Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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