input word = C00013866

Metabolite InformationStructural formula
Name Parthenosin
Quercetin 3-(6''-n-butylglucuronide)
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosiduronic acid butyl ester
Formula C25H26O13
Mw 534.13734092
CAS RN 166196-16-3
C_ID C00013866 ,
InChIKey INCAPNMMVMDQPT-LPWLPTIFNA-N
InChICode InChI=1S/C25H26O13/c1-2-3-6-35-24(34)23-19(32)18(31)20(33)25(38-23)37-22-17(30)16-14(29)8-11(26)9-15(16)36-21(22)10-4-5-12(27)13(28)7-10/h4-5,7-9,18-20,23,25-29,31-33H,2-3,6H2,1H3/t18-,19-,20+,23-,25+/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OCCCC)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeParthenocissus tricuspidata Ref.
zoom in