input word = C00013870

Metabolite InformationStructural formula
Name Quercetin 3-(2'''-galloylglucosyl)-(1->2)-alpha-L-arabinofuranoside
Pachyrrhizin (Euphorbia)
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[2-O-[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]-alpha-L-arabinofuranosyl]oxy]-4H-1-benzopyran-4-one
Formula C33H32O20
Mw 748.14869347
CAS RN 277316-77-5
C_ID C00013870 ,
InChIKey JPICQHQVPWZCIW-KBHXFNARNA-N
InChICode InChI=1S/C33H32O20/c34-8-19-23(43)26(46)30(51-31(47)11-4-16(40)22(42)17(41)5-11)33(49-19)53-29-24(44)20(9-35)50-32(29)52-28-25(45)21-15(39)6-12(36)7-18(21)48-27(28)10-1-2-13(37)14(38)3-10/h1-7,19-20,23-24,26,29-30,32-44,46H,8-9H2/t19-,20-,23-,24+,26+,29+,30-,32+,33+/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@@H](O)[C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia pachyrhiza Ref.
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