input word = C00005333

Metabolite InformationStructural formula
Name Candidol 3-glucoside
Formula C24H26O12
Mw 506.1424263
CAS RN 141304-80-5
C_ID C00005333 ,
InChIKey TVDROQRLBHIUHW-SINMPRCLNA-N
InChICode InChI=1S/C24H26O12/c1-31-13-8-12-15(22(33-3)21(13)32-2)17(28)23(20(34-12)10-4-6-11(26)7-5-10)36-24-19(30)18(29)16(27)14(9-25)35-24/h4-8,14,16,18-19,24-27,29-30H,9H2,1-3H3/t14-,16-,18-,19-,24+/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium tinifolium Ref.
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OrganismEupatorium tinifolium
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

D'Agostino,Fitoterapia,62,(1991),445