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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OrganismValeriana hardwickii
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)