PCIDB

KNApSAcK Metabolite C00047991

Metabolite

KNApSAcK Entry

id C00047991
Name Melitidin
CAS RN 1162664-58-5
Standard InChI InChI=1S/C33H40O18/c1-13-25(40)27(42)29(44)31(47-13)51-30-28(43)26(41)21(12-46-23(39)11-33(2,45)10-22(37)38)50-32(30)48-16-7-17(35)24-18(36)9-19(49-20(24)8-16)14-3-5-15(34)6-4-14/h3-8,13,19,21,25-32,34-35,40-45H,9-12H2,1-2H3,(H,37,38)/t13-,19-,21+,25-,26+,27+,28-,29+,30+,31-,32+,33?/m0/s1
Standard InChI (Main Layer) InChI=1S/C33H40O18/c1-13-25(40)27(42)29(44)31(47-13)51-30-28(43)26(41)21(12-46-23(39)11-33(2,45)10-22(37)38)50-32(30)48-16-7-17(35)24-18(36)9-19(49-20(24)8-16)14-3-5-15(34)6-4-14/h3-8,13,19,21,25-32,34-35,40-45H,9-12H2,1-2H3,(H,37,38)

Cluster

Phytochemical cluster No. 14
KCF-S cluster No. 48

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rutaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Citrus bergamia 380129 Rutaceae rosids Viridiplantae