input word = C00013831

Metabolite InformationStructural formula
Name Herbacetin 7-methyl ether 3-(2''-(E)-feruloylglucoside)
5,8-Dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
Formula C32H30O15
Mw 654.15847029
CAS RN 190328-85-9
C_ID C00013831 ,
InChIKey ZRJRMZVLTQXGBI-UMDHMPDMNA-N
InChICode InChI=1S/C32H30O15/c1-42-19-11-14(3-9-17(19)35)4-10-22(37)45-31-27(41)24(38)21(13-33)44-32(31)47-30-26(40)23-18(36)12-20(43-2)25(39)29(23)46-28(30)15-5-7-16(34)8-6-15/h3-12,21,24,27,31-36,38-39,41H,13H2,1-2H3/b10-4+/t21-,24-,27+,31+,32+/m1/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)c(cc(c2O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeRanunculus sardous Ref.
zoom in