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 c1(oc2c(c(=O)c1)c(c(c(c2)O)[C@@H]1[C@@H](C(=O)[C@@H]([C@@H](O1)C)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia occidentalis Ref.
PlantaeFabaceaeMimosa pudica Ref.
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OrganismCassia occidentalis
ReferenceHatano,Phytochem.,52,(1999),1379