PCIDB

KNApSAcK Metabolite C00011101

Metabolite

KNApSAcK Entry

id C00011101
Name Malvidin 3-O-(6-O-(4-O-(4-O-(6-O-E-p-coumaroyl-beta-D-glucopyranosyl)-E-p-coumaroyl)-alpha-rhamnosyl)-beta-D-glucopyranoside)-5-O-beta-D-glucopyranoside
CAS RN 402935-13-1
Standard InChI InChI=1S/C59H66O30/c1-24-54(89-41(64)15-9-26-6-12-30(13-7-26)82-57-50(73)47(70)44(67)38(87-57)22-79-40(63)14-8-25-4-10-28(61)11-5-25)49(72)53(76)56(81-24)80-23-39-45(68)48(71)52(75)59(88-39)85-36-20-31-32(83-55(36)27-16-34(77-2)42(65)35(17-27)78-3)18-29(62)19-33(31)84-58-51(74)46(69)43(66)37(21-60)86-58/h4-20,24,37-39,43-54,56-60,66-76H,21-23H2,1-3H3,(H2-,61,62,63,65)/p+1/b15-9+/t24?,37?,38?,39-,43?,44-,45-,46+,47+,48?,49?,50?,51?,52?,53+,54+,56-,57-,58-,59-/m1/s1
Standard InChI (Main Layer) InChI=1S/C59H66O30/c1-24-54(89-41(64)15-9-26-6-12-30(13-7-26)82-57-50(73)47(70)44(67)38(87-57)22-79-40(63)14-8-25-4-10-28(61)11-5-25)49(72)53(76)56(81-24)80-23-39-45(68)48(71)52(75)59(88-39)85-36-20-31-32(83-55(36)27-16-34(77-2)42(65)35(17-27)78-3)18-29(62)19-33(31)84-58-51(74)46(69)43(66)37(21-60)86-58/h4-20,24,37-39,43-54,56-60,66-76H,21-23H2,1-3H3,(H2-,61,62,63,65)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 62

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Petunia x hybrida 4102 Solanaceae asterids Viridiplantae