input word = C00036599

Metabolite InformationStructural formula
Name 5-Methoxy-8-(1,1-dimethyl-2,3-dihydroxypropyl)-psoralen
(+)-5-Methoxy-8-(1,1-dimethyl-2,3-dihydroxypropyl)-psoralen
Formula C17H18O6
Mw 318.11033831
CAS RN 342371-93-1
C_ID C00036599 ,
InChIKey PEIKVIYNHNSILV-UHFFFAOYNA-N
InChICode InChI=1S/C17H18O6/c1-17(2,11(19)8-18)13-15-10(6-7-22-15)14(21-3)9-4-5-12(20)23-16(9)13/h4-7,11,18-19H,8H2,1-3H3/t11-/m0/s1
SMILES COc1c2ccoc2c(C(C)(C)C(O)CO)c2oc(=O)ccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeDorstenia gigas Ref.
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OrganismDorstenia gigas
ReferenceFranke,Phytochem.,56,(2001),611