input word = C00009532

Metabolite InformationStructural formula
Name Millettin
Formula C25H22O6
Mw 418.14163844
CAS RN 78338-36-0
C_ID C00009532 ,
InChIKey ZRHZEZGNBCGSBJ-UHFFFAOYSA-N
InChICode InChI=1S/C25H22O6/c1-12(2)5-7-16-22-15(9-10-25(3,4)31-22)20(27)19-21(28)18-14-8-6-13(26)11-17(14)29-24(18)30-23(16)19/h5-6,8-11,26-27H,7H2,1-4H3
SMILES CC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc5cc(O)ccc54)oc13)C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia auriculata Ref.
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