input word = C00013850

Metabolite InformationStructural formula
Name Peruvianoside III
Quercetin 3-glucosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1->6)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C33H40O21
Mw 772.20620834
CAS RN 366014-83-7
C_ID C00013850 ,
InChIKey MNMUPTOJETVJCW-LCYASSBBNA-N
InChICode InChI=1S/C33H40O21/c1-9-19(39)23(43)26(46)31(49-9)48-8-17-21(41)25(45)30(54-32-27(47)24(44)20(40)16(7-34)51-32)33(52-17)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16-,17+,19+,20-,21+,23-,24+,25+,26+,27-,30+,31-,32+,33+/m1/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]([C@H](O1)C)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeThevetia neriifolia Ref.
PlantaeApocynaceaeThevetia peruviana Ref.
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