input word = C00012624

Metabolite InformationStructural formula
Name 8alpha-Hydroxysambucoin
Formula C15H22O4
Mw 266.15180919
CAS RN 112468-60-7
C_ID C00012624 ,
InChIKey PYOQCUKYALILJL-CACDCAEFNA-N
InChICode InChI=1S/C15H22O4/c1-9-6-12-13(2,7-10(9)16)14(3)5-4-11(17)15(14,18)8-19-12/h6,10,12,16,18H,4-5,7-8H2,1-3H3/t10-,12-,13-,14+,15-/m0/s1
SMILES C1=C([C@H](C[C@]2([C@H]1OC[C@]1([C@@]2(CCC1=O)C)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium sporotrichioides Ref.
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