input word = C00038634

Metabolite InformationStructural formula
Name Brandisianin E
Formula C22H22O8
Mw 414.13146768
CAS RN 1004319-41-8
C_ID C00038634 ,
InChIKey NQIJCWMTBNAWNQ-NYYWCZLTSA-N
InChICode InChI=1S/C22H22O8/c1-11(9-23)4-5-12-15(24)7-17(26)20-21(27)14(10-30-22(12)20)13-6-19(29-3)16(25)8-18(13)28-2/h4,6-8,10,23-26H,5,9H2,1-3H3/b11-4+
SMILES c1(cc(c2c(c1C/C=C(/CO)\C)occ(c2=O)c1cc(c(cc1OC)O)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia brandisiana Ref.
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