PCIDB

KNApSAcK Metabolite C00006692

Metabolite

KNApSAcK Entry

id C00006692
Name Peonidin 3-rutinoside-5-glucoside
CAS RN 39824-85-6
Standard InChI InChI=1S/C34H42O20/c1-11-22(38)25(41)28(44)32(49-11)48-10-21-24(40)27(43)30(46)34(54-21)52-19-8-14-16(50-31(19)12-3-4-15(37)18(5-12)47-2)6-13(36)7-17(14)51-33-29(45)26(42)23(39)20(9-35)53-33/h3-8,11,20-30,32-35,38-46H,9-10H2,1-2H3,(H-,36,37)/p+1/t11?,20?,21?,22-,23+,24+,25-,26-,27?,28?,29?,30?,32+,33+,34+/m0/s1
Standard InChI (Main Layer) InChI=1S/C34H42O20/c1-11-22(38)25(41)28(44)32(49-11)48-10-21-24(40)27(43)30(46)34(54-21)52-19-8-14-16(50-31(19)12-3-4-15(37)18(5-12)47-2)6-13(36)7-17(14)51-33-29(45)26(42)23(39)20(9-35)53-33/h3-8,11,20-30,32-35,38-46H,9-10H2,1-2H3,(H-,36,37)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

Link

ChEMBL

By standard InChI
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KEGG

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CTD

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