input word = C00013875

Metabolite InformationStructural formula
Name Monepalin B
Quercetin 3-(2''-(E)-caffeoyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside
2-(3,4-Dihydroxyphenyl)-3-[[6-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-alpha-L-arabinopyranosyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C35H34O19
Mw 758.16942891
CAS RN 444815-19-4
C_ID C00013875 ,
InChIKey PVBWGKHXCFEXOO-YTVUYESXNA-N
InChICode InChI=1S/C35H34O19/c36-15-9-20(41)25-22(10-15)51-31(14-3-5-17(38)19(40)8-14)32(28(25)46)54-34-30(48)29(47)27(45)23(52-34)12-50-35-33(26(44)21(42)11-49-35)53-24(43)6-2-13-1-4-16(37)18(39)7-13/h1-10,21,23,26-27,29-30,33-42,44-45,47-48H,11-12H2/b6-2+/t21-,23-,26-,27+,29-,30+,33+,34-,35-/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[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceaeMorina nepalensis var. alba Ref.
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