PCIDB

KNApSAcK Metabolite C00006905

Metabolite

KNApSAcK Entry

id C00006905
Name Malvidin 3-p-coumarylrutinoside
CAS RN 757174-16-6
Standard InChI InChI=1S/C38H40O18/c1-16-35(56-28(42)9-6-17-4-7-19(39)8-5-17)32(46)34(48)37(52-16)51-15-27-30(44)31(45)33(47)38(55-27)54-26-14-21-22(41)12-20(40)13-23(21)53-36(26)18-10-24(49-2)29(43)25(11-18)50-3/h4-14,16,27,30-35,37-38,44-48H,15H2,1-3H3,(H3-,39,40,41,42,43)/p+1/t16?,27?,30-,31?,32-,33?,34?,35+,37-,38-/m1/s1
Standard InChI (Main Layer) InChI=1S/C38H40O18/c1-16-35(56-28(42)9-6-17-4-7-19(39)8-5-17)32(46)34(48)37(52-16)51-15-27-30(44)31(45)33(47)38(55-27)54-26-14-21-22(41)12-20(40)13-23(21)53-36(26)18-10-24(49-2)29(43)25(11-18)50-3/h4-14,16,27,30-35,37-38,44-48H,15H2,1-3H3,(H3-,39,40,41,42,43)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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