input word = C00013701

Metabolite InformationStructural formula
Name Hypolaetin 7-sulfate-8-glucoside
8-Hydroxyluteolin 7-sulfate-8-glucoside
2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-5-hydroxy-7-(sulfooxy)-4H-1-benzopyran-4-one
Formula C21H20O15S
Mw 544.0522907
CAS RN 215113-45-4
C_ID C00013701 ,
InChIKey BGJRYMMLTZVTMS-CUTYNBGFNA-N
InChICode InChI=1S/C21H20O15S/c22-6-14-16(27)17(28)18(29)21(34-14)35-19-13(36-37(30,31)32)5-11(26)15-10(25)4-12(33-20(15)19)7-1-2-8(23)9(24)3-7/h1-5,14,16-18,21-24,26-29H,6H2,(H,30,31,32)/t14-,16-,17+,18-,21+/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1)c(cc(c2O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OS(=O)(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRestionaceaeHypolaena fastigiata Ref.
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