input word = C00004230

Metabolite InformationStructural formula
Name Scutellarein 7-(6''-malonylglucoside)
Formula C24H22O14
Mw 534.10095541
CAS RN 127350-67-8
C_ID C00004230 ,
InChIKey SSLQZEOVXSUHHA-GVCLXSOTNA-N
InChICode InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)12-5-11(26)18-13(36-12)6-14(19(30)21(18)32)37-24-23(34)22(33)20(31)15(38-24)8-35-17(29)7-16(27)28/h1-6,15,20,22-25,30-34H,7-8H2,(H,27,28)/t15-,20-,22+,23+,24-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Bryum pseudotriquetrum Ref.
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