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 CC1O[C@@H](OC2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)OC(COC(=O)CC(=O)O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Bryum pseudotriquetrum Ref.
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