input word = C00005364

Metabolite InformationStructural formula
Name Sexangularetin 3-glucoside-7-rutinoside
Formula C34H42O21
Mw 786.22185841
CAS RN 95262-51-4
C_ID C00005364 ,
InChIKey ISUXZWBCYABOBF-WJIUATFLNA-N
InChICode InChI=1S/C34H42O21/c1-10-18(38)22(42)25(45)32(50-10)49-9-16-20(40)24(44)26(46)33(53-16)51-14-7-13(37)17-21(41)31(55-34-27(47)23(43)19(39)15(8-35)52-34)28(54-30(17)29(14)48-2)11-3-5-12(36)6-4-11/h3-7,10,15-16,18-20,22-27,32-40,42-47H,8-9H2,1-2H3/t10-,15-,16+,18-,19-,20-,22+,23-,24-,25-,26+,27+,32+,33+,34-/m0/s1
SMILES COc1c(O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)[C@H](O)C2O)cc(O)c2c(=O)c(O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra alata Ref.
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OrganismEphedra alata
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Nawwar,Phytochem.,23,(1984),2937