input word = C00014072

Metabolite InformationStructural formula
Name Cassiaoccidentalin C
6-C-(6-Deoxy-ribo-hexos-3-ulosyl)diomestin 2''-O-rhamnoside
Formula C28H30O14
Mw 590.16355567
CAS RN 259876-01-2
C_ID C00014072 ,
InChIKey CIQAFMGHGPCUFZ-NXYWFUSCNA-N
InChICode InChI=1S/C28H30O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-16(41-17)11-4-5-15(38-3)12(29)6-11/h4-10,20-21,23,25-29,31-35,37H,1-3H3/t9-,10-,20-,21-,23+,25-,26-,27+,28-/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)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia occidentalis Ref.
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