input word = C00004313

Metabolite InformationStructural formula
Name Luteolin 7-(6''-malonylneohesperidoside)
Formula C30H32O18
Mw 680.15886422
CAS RN 127350-65-6
C_ID C00004313 ,
InChIKey UUKXVBWTTCUSCK-IXSMUVSRNA-N
InChICode InChI=1S/C30H32O18/c1-10-23(38)25(40)27(42)29(44-10)48-28-26(41)24(39)19(9-43-21(37)8-20(35)36)47-30(28)45-12-5-15(33)22-16(34)7-17(46-18(22)6-12)11-2-3-13(31)14(32)4-11/h2-7,10,19,23-33,38-42H,8-9H2,1H3,(H,35,36)/t10-,19-,23+,24+,25+,26+,27-,28-,29+,30-/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Bryum pseudotriquetrum Ref.
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