input word = C00038631

Metabolite InformationStructural formula
Name Brandisianin B
(-)-Brandisianin B
Formula C22H20O7
Mw 396.12090299
CAS RN 1004319-38-3
C_ID C00038631 ,
InChIKey VIMHZMOJYABXJB-XISACWJONA-N
InChICode InChI=1S/C22H20O7/c1-10(2)16-6-12-18(29-16)8-15(24)20-21(25)13(9-28-22(12)20)11-5-19(27-4)14(23)7-17(11)26-3/h5,7-9,16,23-24H,1,6H2,2-4H3/t16-/m1/s1
SMILES c12c(cc(c3c1occ(c3=O)c1c(cc(c(c1)OC)O)OC)O)O[C@H](C2)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeMillettia brandisiana Ref.
zoom in