input word = C00036518

Metabolite InformationStructural formula
Name 3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one
Formula C18H18O6
Mw 330.11033831
CAS RN 326474-02-6
C_ID C00036518 ,
InChIKey GJIFITGETLKYQN-UHFFFAOYNA-N
InChICode InChI=1S/C18H18O6/c1-6-17(2,3)18(22-5)15(19)13-12(24-16(18)20)9-11-10(7-8-23-11)14(13)21-4/h6-9H,1H2,2-5H3/t18-/m0/s1
SMILES c12c(cc3c(c1OC)C(=O)[C@](C(=O)O3)(C(C=C)(C)C)OC)occ2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHalfordia kendack Ref.
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