input word = C00005356

Metabolite InformationStructural formula
Name Sexangularetin 3-glucoside
Formula C22H22O12
Mw 478.11112617
CAS RN 51857-20-6
C_ID C00005356 ,
InChIKey LZSGYESPQHEVBU-NRTLMDCONA-N
InChICode InChI=1S/C22H22O12/c1-31-19-11(26)6-10(25)13-15(28)21(18(33-20(13)19)8-2-4-9(24)5-3-8)34-22-17(30)16(29)14(27)12(7-23)32-22/h2-6,12,14,16-17,22-27,29-30H,7H2,1H3/t12-,14-,16+,17-,22+/m1/s1
SMILES c1(cc(c2c(c1OC)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra equisetina Ref.
PlantaeFabaceaeLotus corniculatus Ref.
PlantaeRosaceaeCrataegus monogyna Ref.
PlantaeRosaceaeCrataegus pinnatifida Ref.
PlantaeRosaceaeSorbus aucuparia Ref.
PlantaeZygophyllaceaeFagonia thebaica Ref.
--Humata pectinata Ref.
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OrganismEphedra equisetina
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Jerzmanowska,Rocz Chem.,47,(1973),1629