input word = C00004500

Metabolite InformationStructural formula
Name Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucuronide)
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid 2-(hydrogen sulfate)
Formula C22H20O15S
Mw 556.0522907
CAS RN 351223-97-7
C_ID C00004500 ,
InChIKey XRHYTEAKTRSKAB-PBVMXGITNA-N
InChICode InChI=1S/C22H20O15S/c1-33-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)17(18(14)34-13)35-22-20(37-38(30,31)32)16(27)15(26)19(36-22)21(28)29/h2-7,15-16,19-20,22-23,25-27H,1H3,(H,28,29)(H,30,31,32)/t15-,16-,19-,20+,22+/m0/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4OS(=O)(=O)O)c3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHelicteres angustifolia Ref.
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OrganismHelicteres angustifolia
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 3.Flavone O-glycosides, John Wiley & Son

Chen,Heterocycles,38,(1994),1399