input word = C00005940

Metabolite InformationStructural formula
Name Herbacetin 8-(3''-acetylxyloside)
Formula C22H20O12
Mw 476.09547611
CAS RN 68385-35-3
C_ID C00005940 ,
InChIKey GCVSUIXSUGPZMN-VOOHCIRDNA-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 CC(=O)O[C@@H]1C(O)[C@H](Oc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)OC[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola algida Ref.
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