input word = C00012622

Metabolite InformationStructural formula
Name Sambucinol
Formula C15H22O4
Mw 266.15180919
CAS RN 90044-33-0
C_ID C00012622 ,
InChIKey GFLMBFRNOPTZDK-BDXXHNCONA-N
InChICode InChI=1S/C15H22O4/c1-9-4-5-12(2)13(3)7-10(17)11-14(13,8-16)19-15(12,6-9)18-11/h6,10-11,16-17H,4-5,7-8H2,1-3H3/t10-,11+,12-,13+,14+,15+/m0/s1
SMILES C1[C@@]2([C@]3(C=C(C1)C)O[C@H]1[C@]([C@@]2(C[C@@H]1O)C)(O3)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sambusinum Ref.
zoom in