input word = C00014049

Metabolite InformationStructural formula
Name Cassiaoccidentalin A
6-[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-L-ribo-hexopyranos-3-ulos-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C27H28O13
Mw 560.15299098
CAS RN 259875-99-5
C_ID C00014049 ,
InChIKey KCQFNIYRJNSNLG-ZSSHDEDHNA-N
InChICode InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19-20,22,24-28,30-34,36H,1-2H3/t9-,10+,19+,20+,22-,24+,25+,26+,27+/m1/s1
SMILES CC1O[C@@H](OC2C(=O)[C@H](O)C(C)O[C@H]2c2c(O)cc3oc(-c4ccc(O)cc4)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.
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