input word = C00013880

Metabolite InformationStructural formula
Name Euphorbianin
Quercetin 3-(6''-acetylglucosyl)-(1->3)-galactoside
3-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C29H32O18
Mw 668.15886422
CAS RN 244183-77-5
C_ID C00013880 ,
InChIKey XFLPOXHBWOHPNX-NJLAAVQHNA-N
InChICode InChI=1S/C29H32O18/c1-9(31)42-8-17-19(36)22(39)23(40)28(45-17)46-26-20(37)16(7-30)44-29(24(26)41)47-27-21(38)18-14(35)5-11(32)6-15(18)43-25(27)10-2-3-12(33)13(34)4-10/h2-6,16-17,19-20,22-24,26,28-30,32-37,39-41H,7-8H2,1H3/t16-,17-,19+,20-,22-,23-,24-,26-,28-,29-/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)CO)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia hirta Ref.
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