input word = C00001986

Metabolite InformationStructural formula
Name Valerianine
Formula C11H15NO
Mw 177.11536411
CAS RN 30634-66-3
C_ID C00001986 ,
InChIKey ZRJLCVQCZVXUFB-SVGMAFHSNA-N
InChICode InChI=1S/C11H15NO/c1-8-3-4-10-9(7-13-2)5-12-6-11(8)10/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1
SMILES c1(cncc2c1CC[C@@H]2C)COC
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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OrganismValeriana officinalis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter23