PCIDB

KNApSAcK Metabolite C00006638

Metabolite

KNApSAcK Entry

id C00006638
Name Pelargonidin 3-neohesperidoside / Pelargonidin 3-(2-rhamnosylglucoside)
CAS RN 118964-12-8
Standard InChI InChI=1S/C27H30O14/c1-10-19(32)21(34)23(36)26(37-10)41-25-22(35)20(33)18(9-28)40-27(25)39-17-8-14-15(31)6-13(30)7-16(14)38-24(17)11-2-4-12(29)5-3-11/h2-8,10,18-23,25-28,32-36H,9H2,1H3,(H2-,29,30,31)/p+1/t10?,18?,19-,20+,21?,22?,23-,25?,26-,27+/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H30O14/c1-10-19(32)21(34)23(36)26(37-10)41-25-22(35)20(33)18(9-28)40-27(25)39-17-8-14-15(31)6-13(30)7-16(14)38-24(17)11-2-4-12(29)5-3-11/h2-8,10,18-23,25-28,32-36H,9H2,1H3,(H2-,29,30,31)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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