PCIDB

KNApSAcK Metabolite C00039050

Metabolite

KNApSAcK Entry

id C00039050
Name Dubioside A
CAS RN 122587-95-5
Standard InChI InChI=1S/C53H82O24/c1-21-30(58)33(61)37(65)43(71-21)75-40-31(59)24(56)19-70-45(40)77-47(69)53-15-14-48(2,3)16-23(53)22-8-9-27-49(4)12-11-29(50(5,20-55)26(49)10-13-51(27,6)52(22,7)17-28(53)57)73-46-41(36(64)35(63)39(74-46)42(67)68)76-44-38(66)34(62)32(60)25(18-54)72-44/h8,20-21,23-41,43-46,54,56-66H,9-19H2,1-7H3,(H,67,68)
Standard InChI (Main Layer) InChI=1S/C53H82O24/c1-21-30(58)33(61)37(65)43(71-21)75-40-31(59)24(56)19-70-45(40)77-47(69)53-15-14-48(2,3)16-23(53)22-8-9-27-49(4)12-11-29(50(5,20-55)26(49)10-13-51(27,6)52(22,7)17-28(53)57)73-46-41(36(64)35(63)39(74-46)42(67)68)76-44-38(66)34(62)32(60)25(18-54)72-44/h8,20-21,23-41,43-46,54,56-66H,9-19H2,1-7H3,(H,67,68)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

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
Cucurbitaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Thladiantha dubia 210344 Cucurbitaceae rosids Viridiplantae