PCIDB

KNApSAcK Metabolite C00031137

Metabolite

KNApSAcK Entry

id C00031137
Name RA XIII
CAS RN 143277-28-5
Standard InChI InChI=1S/C48H60N6O16/c1-24-42(61)51-31(16-18-38(56)57)46(65)52(3)32(19-26-7-12-29(67-6)13-8-26)44(63)50-25(2)45(64)54(5)34-20-27-9-14-30(15-10-27)68-36-22-28(21-33(43(62)49-24)53(4)47(34)66)11-17-35(36)69-48-41(60)40(59)39(58)37(23-55)70-48/h7-15,17,22,24-25,31-34,37,39-41,48,55,58-60H,16,18-21,23H2,1-6H3,(H,49,62)(H,50,63)(H,51,61)(H,56,57)
Standard InChI (Main Layer) InChI=1S/C48H60N6O16/c1-24-42(61)51-31(16-18-38(56)57)46(65)52(3)32(19-26-7-12-29(67-6)13-8-26)44(63)50-25(2)45(64)54(5)34-20-27-9-14-30(15-10-27)68-36-22-28(21-33(43(62)49-24)53(4)47(34)66)11-17-35(36)69-48-41(60)40(59)39(58)37(23-55)70-48/h7-15,17,22,24-25,31-34,37,39-41,48,55,58-60H,16,18-21,23H2,1-6H3,(H,49,62)(H,50,63)(H,51,61)(H,56,57)

Cluster

Phytochemical cluster
KCF-S cluster No. 497

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
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rubia akane 25473 Rubiaceae asterids Viridiplantae