PCIDB

KNApSAcK Metabolite C00006741

Metabolite

KNApSAcK Entry

id C00006741
Name Malvidin 3-rhamnoside-5-glucoside
CAS RN 53925-29-4
Standard InChI InChI=1S/C29H34O16/c1-10-20(32)23(35)25(37)28(41-10)44-18-8-13-14(42-27(18)11-4-16(39-2)21(33)17(5-11)40-3)6-12(31)7-15(13)43-29-26(38)24(36)22(34)19(9-30)45-29/h4-8,10,19-20,22-26,28-30,32,34-38H,9H2,1-3H3,(H-,31,33)/p+1/t10?,19?,20-,22+,23?,24-,25-,26?,28-,29+/m0/s1
Standard InChI (Main Layer) InChI=1S/C29H34O16/c1-10-20(32)23(35)25(37)28(41-10)44-18-8-13-14(42-27(18)11-4-16(39-2)21(33)17(5-11)40-3)6-12(31)7-15(13)43-29-26(38)24(36)22(34)19(9-30)45-29/h4-8,10,19-20,22-26,28-30,32,34-38H,9H2,1-3H3,(H-,31,33)

Cluster

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

Link

ChEMBL

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By standard InChI Main Layer

KEGG

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CTD

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