PCIDB

KNApSAcK Metabolite C00014770

Metabolite

KNApSAcK Entry

id C00014770
Name (6''-O-(Pelargonidin 3-O-[2''-O-(beta-D-xylopyranosyl)-beta-D-galactopyranosyl]))((4-O-(beta-D-glucopyranosyl-trans-caffeoyl)-O-tartaryl)malonate
CAS RN 345642-77-5
Standard InChI InChI=1S/C48H50O30/c49-14-28-34(59)36(61)39(64)47(74-28)72-25-7-1-17(9-23(25)53)2-8-30(55)76-42(44(65)66)43(45(67)68)77-32(57)13-31(56)69-16-29-35(60)37(62)41(78-46-38(63)33(58)24(54)15-70-46)48(75-29)73-27-12-21-22(52)10-20(51)11-26(21)71-40(27)18-3-5-19(50)6-4-18/h1-12,24,28-29,33-39,41-43,46-49,54,58-64H,13-16H2,(H5-,50,51,52,53,65,66,67,68)/p+1/b8-2+/t24-,28?,29?,33+,34-,35+,36+,37+,38?,39?,41?,42?,43?,46+,47-,48-/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H50O30/c49-14-28-34(59)36(61)39(64)47(74-28)72-25-7-1-17(9-23(25)53)2-8-30(55)76-42(44(65)66)43(45(67)68)77-32(57)13-31(56)69-16-29-35(60)37(62)41(78-46-38(63)33(58)24(54)15-70-46)48(75-29)73-27-12-21-22(52)10-20(51)11-26(21)71-40(27)18-3-5-19(50)6-4-18/h1-12,24,28-29,33-39,41-43,46-49,54,58-64H,13-16H2,(H5-,50,51,52,53,65,66,67,68)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Ranunculaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Anemone coronaria 167998 Ranunculaceae eudicotyledons Viridiplantae