input word = C00039451

Metabolite InformationStructural formula
Name Isopurpurasol
(+)-Isopurpurasol
Formula C15H16O6
Mw 292.09468824
CAS RN 244247-28-7
C_ID C00039451 ,
InChIKey ZEHRIDOUICKLRZ-UHFFFAOYNA-N
InChICode InChI=1S/C15H16O6/c1-15(2,17)11-7-19-14-10(18-3)6-9-8(13(14)21-11)4-5-12(16)20-9/h4-6,11,17H,7H2,1-3H3/t11-/m1/s1
SMILES COc1cc2oc(=O)ccc2c2c1OCC(C(C)(C)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePterocaulon virgatum Ref.
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