input word = C00014065

Metabolite InformationStructural formula
Name Cassiaoccidentalin B
6-[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-L-ribo-hexopyranos-3-ulos-1-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C27H28O14
Mw 576.14790561
CAS RN 259876-00-1
C_ID C00014065 ,
InChIKey WGIMZJFXUGTVFX-XFUIUUDANA-N
InChICode InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20+,22+,24-,25+,26+,27-/m0/s1
SMILES CC1O[C@@H](OC2C(=O)[C@H](O)C(C)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia occidentalis Ref.
PlantaeFabaceaeMimosa pudica Ref.
PlantaePoaceaeCymbopogon citratus Ref.
zoom in