input word = C00030545

Metabolite InformationStructural formula
Name Isosafrol glycol
Formula C10H12O4
Mw 196.07355887
CAS RN 62512-79-2
C_ID C00030545 ,
InChIKey YIRAEUKOPKEBHB-UHFFFAOYNA-N
InChICode InChI=1S/C10H12O4/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6,10-12H,5H2,1H3/t6-,10-/m1/s1
SMILES CC(O)C(O)c1ccc2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeMagnolia salicifolia Ref.
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OrganismMagnolia salicifolia
ReferenceLi,J.Nat.Med.,61,(2007),222