input word = C00049231

Metabolite InformationStructural formula
Name Mollisin
Formula C14H10Cl2O4
Mw 311.99561423
CAS RN 667-92-5
C_ID C00049231 ,
InChIKey LBLPBDUCKUHMIA-UHFFFAOYSA-N
InChICode InChI=1S/C14H10Cl2O4/c1-5-3-7(17)10-8(18)4-6(2)12(19)11(10)9(5)13(20)14(15)16/h3-4,14,17H,1-2H3
SMILES c12c(c(cc(c1C(=O)C(Cl)Cl)C)O)C(=O)C=C(C2=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiDermateaceaeMollisia caesta Ref.
FungiDermateaceaeMollisia fallens Ref.
PlantaeFagaceaeCastanea mollisima Ref.
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OrganismCastanea mollisima
ReferenceChu, K.T. et al., Planta Med., 2003, 69, 809-813 (isol, activity)