input word = C00005939

Metabolite InformationStructural formula
Name Herbacetin 8-(3''-acetyl-alpha-L-arabinopyranoside)
Formula C22H20O12
Mw 476.09547611
CAS RN 58902-11-7
C_ID C00005939 ,
InChIKey GCVSUIXSUGPZMN-LKZPGZPBNA-N
InChICode InChI=1S/C22H20O12/c1-8(23)32-19-13(27)7-31-22(17(19)30)34-20-12(26)6-11(25)14-15(28)16(29)18(33-21(14)20)9-2-4-10(24)5-3-9/h2-6,13,17,19,22,24-27,29-30H,7H2,1H3/t13-,17-,19-,22+/m0/s1
SMILES c1(cc(c2c(c1O[C@@H]1[C@H]([C@H]([C@H](CO1)O)OC(=O)C)O)oc(c(c2=O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola algida Ref.
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