input word = C00006700

Metabolite InformationStructural formula
Name Bladhianin
Formula C21H21O12
Mw 465.10330114
CAS RN 32369-03-2
C_ID C00006700 ,
InChIKey BYVVSZFWJGRSIK-MUGZMFPKNA-O
InChICode InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)31-8-3-10(23)9-5-13(26)20(32-14(9)4-8)7-1-11(24)16(27)12(25)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17+,18+,19-,21-/m1/s1
SMILES OCC1O[C@@H](Oc2cc(O)c3cc(O)c(-c4cc(O)c(O)c(O)c4)[o+]c3c2)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea candida Ref.
PlantaeSapindaceaeBlighia sieboldii Ref.
zoom in