input word = C00004522

Metabolite InformationStructural formula
Name Pleurostimin 7-glucoside
5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-glucoside
Formula C22H22O13
Mw 494.10604079
CAS RN
C_ID C00004522 ,
InChIKey BXYRUPOLNKJLJO-PIQAFPAANA-N
InChICode InChI=1S/C22H22O13/c1-32-21-19-13(10(26)5-11(33-19)7-2-3-8(24)9(25)4-7)15(28)17(30)20(21)35-22-18(31)16(29)14(27)12(6-23)34-22/h2-5,12,14,16,18,22-25,27-31H,6H2,1H3/t12-,14-,16+,18-,22+/m1/s1
SMILES COc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(O)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVelloziaceaeVellozia nanuzae Ref.
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