input word = C00013775

Metabolite InformationStructural formula
Name Kaempferol 3-(2'',4''-di-(Z)-p-coumaroylrhamnoside)
3-[[6-Deoxy-2,4-bis-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-mannopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C39H32O14
Mw 724.17920573
CAS RN 205534-17-4
C_ID C00013775 ,
InChIKey KMOHJUXDKSMQOG-SPIXZXOCNA-N
InChICode InChI=1S/C39H32O14/c1-20-35(51-30(45)16-6-21-2-10-24(40)11-3-21)34(48)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-33(47)32-28(44)18-27(43)19-29(32)50-36(37)23-8-14-26(42)15-9-23/h2-20,34-35,38-44,48H,1H3/b16-6-,17-7-/t20-,34+,35-,38-,39-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)/C=C\c1ccc(cc1)O)O)OC(=O)/C=C\c1ccc(cc1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLauraceaeLaurus nobilis Ref.
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