PCIDB

KNApSAcK Metabolite C00039051

Metabolite

KNApSAcK Entry

id C00039051
Name Dubioside B
CAS RN 122587-96-6
Standard InChI InChI=1S/C58H90O28/c1-22-42(82-47-39(71)32(64)25(61)19-77-47)38(70)41(73)48(79-22)84-44-33(65)26(62)20-78-50(44)86-52(76)58-15-14-53(2,3)16-24(58)23-8-9-29-54(4)12-11-31(55(5,21-60)28(54)10-13-56(29,6)57(23,7)17-30(58)63)81-51-45(37(69)36(68)43(83-51)46(74)75)85-49-40(72)35(67)34(66)27(18-59)80-49/h8,21-22,24-45,47-51,59,61-73H,9-20H2,1-7H3,(H,74,75)
Standard InChI (Main Layer) InChI=1S/C58H90O28/c1-22-42(82-47-39(71)32(64)25(61)19-77-47)38(70)41(73)48(79-22)84-44-33(65)26(62)20-78-50(44)86-52(76)58-15-14-53(2,3)16-24(58)23-8-9-29-54(4)12-11-31(55(5,21-60)28(54)10-13-56(29,6)57(23,7)17-30(58)63)81-51-45(37(69)36(68)43(83-51)46(74)75)85-49-40(72)35(67)34(66)27(18-59)80-49/h8,21-22,24-45,47-51,59,61-73H,9-20H2,1-7H3,(H,74,75)

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