PCIDB

KNApSAcK Metabolite C00014812

Metabolite

KNApSAcK Entry

id C00014812
Name Delphinidin 3-(6-malonylglucoside)-7,3'-di-(6-sinapoylglucoside)
CAS RN 799854-16-3
Standard InChI InChI=1S/C58H62O33/c1-78-30-9-22(10-31(79-2)44(30)67)5-7-40(63)82-19-36-46(69)49(72)52(75)56(89-36)85-25-15-27(59)26-17-35(88-58-54(77)51(74)48(71)38(91-58)21-84-42(65)18-39(61)62)55(86-29(26)16-25)24-13-28(60)43(66)34(14-24)87-57-53(76)50(73)47(70)37(90-57)20-83-41(64)8-6-23-11-32(80-3)45(68)33(12-23)81-4/h5-17,36-38,46-54,56-58,69-77H,18-21H2,1-4H3,(H5-,59,60,61,62,63,64,66,67,68)/p+1/t36?,37?,38?,46-,47-,48-,49+,50+,51+,52?,53?,54?,56-,57-,58-/m1/s1
Standard InChI (Main Layer) InChI=1S/C58H62O33/c1-78-30-9-22(10-31(79-2)44(30)67)5-7-40(63)82-19-36-46(69)49(72)52(75)56(89-36)85-25-15-27(59)26-17-35(88-58-54(77)51(74)48(71)38(91-58)21-84-42(65)18-39(61)62)55(86-29(26)16-25)24-13-28(60)43(66)34(14-24)87-57-53(76)50(73)47(70)37(90-57)20-83-41(64)8-6-23-11-32(80-3)45(68)33(12-23)81-4/h5-17,36-38,46-54,56-58,69-77H,18-21H2,1-4H3,(H5-,59,60,61,62,63,64,66,67,68)

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
Liliopsida 1

Family

family name count
Orchidaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Vanda spp. 38198 Orchidaceae Liliopsida Viridiplantae