input word = C00004476

Metabolite InformationStructural formula
Name Isoetin 7-glucoside-2'-(4''-acetylxyloside)
Formula C28H30O17
Mw 638.14829954
CAS RN 134981-98-9
C_ID C00004476 ,
InChIKey GBYRRWUDRLYBIP-UASGDFQJNA-N
InChICode InChI=1S/C28H30O17/c1-9(30)41-20-8-40-27(25(38)23(20)36)44-17-5-13(32)12(31)4-11(17)16-6-15(34)21-14(33)2-10(3-18(21)43-16)42-28-26(39)24(37)22(35)19(7-29)45-28/h2-6,19-20,22-29,31-33,35-39H,7-8H2,1H3/t19-,20+,22-,23+,24+,25+,26-,27+,28-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1cc(c(cc1O[C@H]1[C@H]([C@H]([C@H](CO1)OC(=O)C)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochoeris laevigata Ref.
PlantaeAsteraceaeHypochoeris maculata Ref.
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OrganismHypochoeris maculata
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Gluchoff-Fiasson,Phytochem.,30,(1991),1673