input word = C00020018

Metabolite InformationStructural formula
Name Purpurasol
Formula C15H16O6
Mw 292.09468824
CAS RN 145204-86-0
C_ID C00020018 ,
InChIKey MZKOYZNRGQIMIE-UHFFFAOYNA-N
InChICode InChI=1S/C15H16O6/c1-15(2,17)10-7-19-13-9(18-3)6-8-4-5-11(16)21-12(8)14(13)20-10/h4-6,10,17H,7H2,1-3H3/t10-/m0/s1
SMILES COc1cc2ccc(=O)oc2c2c1OCC(C(C)(C)O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePterocaulon purpurascens Ref.
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