input word = C00049766

Metabolite InformationStructural formula
Name (+)-Purpurin
Formula C23H22O6
Mw 394.14163844
CAS RN 93781-60-3
C_ID C00049766 ,
InChIKey QLKSLGRVBGVPPG-AGMWDTJMNA-N
InChICode InChI=1S/C23H22O6/c1-12(24)26-21-19-18-16(28-22(19)29-23(21,2)3)10-9-14-15(25)11-17(27-20(14)18)13-7-5-4-6-8-13/h4-10,17,19,21-22H,11H2,1-3H3/t17-,19-,21-,22+/m0/s1
SMILES c12c(ccc3c1O[C@@H](CC3=O)c1ccccc1)O[C@H]1[C@@H]2[C@@H](C(O1)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTephrosia sp. Ref.
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