input word = C00021291

Metabolite InformationStructural formula
Name Valerenolic acid
Hydroxyvalerenic acid
Formula C15H22O3
Mw 250.15689457
CAS RN 1619-16-5
C_ID C00021291 ,
InChIKey XJNQXTISSHEQKD-JRQGGQPHNA-N
InChICode InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1
SMILES C1C[C@H]([C@@H]2C(=C(C[C@H]2O)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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