input word = C00004254

Metabolite InformationStructural formula
Name Isoscutellarein 8,4'-dimethyl ether 7-glucuronide
Formula C23H22O12
Mw 490.11112617
CAS RN
C_ID C00004254 ,
InChIKey IODWNLNKJMYBJL-MTQZPPCZNA-N
InChICode InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)13-7-11(24)15-12(25)8-14(19(32-2)20(15)33-13)34-23-18(28)16(26)17(27)21(35-23)22(29)30/h3-8,16-18,21,23,25-28H,1-2H3,(H,29,30)/t16-,17-,18+,21-,23+/m0/s1
SMILES c1(cc(c2c(c1OC)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMarchantiaceaeBucegia romanica Ref.
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