input word = C00013715

Metabolite InformationStructural formula
Name Tricetin 4'-methyl ether 7-apiosyl-(1->2)-(6''-acetylglucoside)
7-[(6-O-Acetyl-2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one
Formula C29H32O17
Mw 652.1639496
CAS RN 244173-90-8
C_ID C00013715 ,
InChIKey VWXAAMROKPFVIO-YUVMQGIFNA-N
InChICode InChI=1S/C29H32O17/c1-11(31)41-8-20-22(36)23(37)25(46-28-26(38)29(39,9-30)10-42-28)27(45-20)43-13-5-14(32)21-15(33)7-18(44-19(21)6-13)12-3-16(34)24(40-2)17(35)4-12/h3-7,20,22-23,25-28,30,32,34-39H,8-10H2,1-2H3/t20-,22+,23-,25+,26+,27+,28-,29+/m0/s1
SMILES c1c(cc(c(c1O)OC)O)c1oc2c(c(=O)c1)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)O[C@H]1[C@H]([C@@](O)(CO)CO1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaePaullinia pinnata Ref.
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