input word = C00021295

Metabolite InformationStructural formula
Name Valerenal
Formula C15H22O
Mw 218.16706532
CAS RN 4176-16-3
C_ID C00021295 ,
InChIKey RJZWGDPBGWGJNU-KTHGLBMKNA-N
InChICode InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1
SMILES C1C[C@H]([C@@H]2C(=C(CC2)C)[C@@H]1/C=C(\C)/C=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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