input word = C00013646

Metabolite InformationStructural formula
Name Isoscutellarein 4'-methyl ether 8-(6''-n-butylglucuronide)
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid butyl ester
Formula C26H28O12
Mw 532.15807636
CAS RN 351223-96-6
C_ID C00013646 ,
InChIKey NSUHKBNUFZSKRR-BFDXTQBKNA-N
InChICode InChI=1S/C26H28O12/c1-3-4-9-35-25(33)24-20(31)19(30)21(32)26(38-24)37-22-16(29)10-14(27)18-15(28)11-17(36-23(18)22)12-5-7-13(34-2)8-6-12/h5-8,10-11,19-21,24,26-27,29-32H,3-4,9H2,1-2H3/t19-,20-,21+,24?,26+/m0/s1
SMILES c1(cc(c2c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OCCCC)O)O)O)oc(cc2=O)c1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHelicteres isora Ref.
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