input word = C00032802

Metabolite InformationStructural formula
Name Cassiamin B
Formula C30H18O10
Mw 538.0899968
CAS RN 27567-10-8
C_ID C00032802 ,
InChIKey QEKGDEDMAJJRRM-UHFFFAOYSA-N
InChICode InChI=1S/C30H18O10/c1-9-3-13-23(29(39)21-15(25(13)35)5-11(31)7-17(21)33)27(37)19(9)20-10(2)4-14-24(28(20)38)30(40)22-16(26(14)36)6-12(32)8-18(22)34/h3-8,31-34,37-38H,1-2H3
SMILES c1c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1O)c1c(cc2C(=O)c3cc(cc(c3C(=O)c2c1O)O)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia siamea Ref.
zoom in