input word = C00056572

Metabolite InformationStructural formula
Name 4,5-Epoxy-7(11)-valerenen-12-al
Formula C15H22O2
Mw 234.16197995
CAS RN 1179511-22-8
C_ID C00056572
InChIKey WZFLXDPAHIAFNU-STPATLDNSA-N
InChICode InChI=1S/C15H22O2/c1-10(9-16)8-12-5-4-11(2)13-6-7-14(3)15(12,13)17-14/h8-9,11-13H,4-7H2,1-3H3/b10-8+/t11-,12+,13-,14+,15-/m1/s1
SMILES C/C(C=O)=C[C@@H]1CC[C@@H](C)[C@H]2CC[C@]3(C)O[C@]123
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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