input word = C00005666

Metabolite InformationStructural formula
Name Spinacetin 3-O-beta-glucopyranoside
Spinacetin 3-glucoside
Formula C23H24O13
Mw 508.12169086
CAS RN 81563-84-0
C_ID C00005666 ,
InChIKey MPUCOEGUJZQKTC-VZKRNIDMNA-N
InChICode InChI=1S/C23H24O13/c1-32-11-5-8(3-4-9(11)25)20-22(36-23-19(31)18(30)15(27)13(7-24)35-23)17(29)14-12(34-20)6-10(26)21(33-2)16(14)28/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3/t13-,15-,18-,19-,23+/m1/s1
SMILES COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArnica chamissonis Ref.
PlantaeAsteraceaeArnica mollis Ref.
PlantaeAsteraceaeArnica montana Ref.
PlantaeAsteraceaeArnica sachalinensis Ref.
PlantaeAsteraceaeArtemisia absinthium Ref.
PlantaeRosaceaeColeogyne ramosissima Torr. Ref.
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OrganismArtemisia absinthium
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Merfort,Planta Med.,53,(1987),434