PCIDB

KNApSAcK Metabolite C00039052

Metabolite

KNApSAcK Entry

id C00039052
Name Dubioside C
CAS RN 122587-97-7
Standard InChI InChI=1S/C63H98O32/c1-23-45(90-52-44(80)46(28(68)21-85-52)91-51-41(77)34(70)26(66)19-84-51)40(76)43(79)53(87-23)93-48-35(71)27(67)20-86-55(48)95-57(83)63-15-14-58(2,3)16-25(63)24-8-9-31-59(4)12-11-33(60(5,22-65)30(59)10-13-61(31,6)62(24,7)17-32(63)69)89-56-49(39(75)38(74)47(92-56)50(81)82)94-54-42(78)37(73)36(72)29(18-64)88-54/h8,22-23,25-49,51-56,64,66-80H,9-21H2,1-7H3,(H,81,82)
Standard InChI (Main Layer) InChI=1S/C63H98O32/c1-23-45(90-52-44(80)46(28(68)21-85-52)91-51-41(77)34(70)26(66)19-84-51)40(76)43(79)53(87-23)93-48-35(71)27(67)20-86-55(48)95-57(83)63-15-14-58(2,3)16-25(63)24-8-9-31-59(4)12-11-33(60(5,22-65)30(59)10-13-61(31,6)62(24,7)17-32(63)69)89-56-49(39(75)38(74)47(92-56)50(81)82)94-54-42(78)37(73)36(72)29(18-64)88-54/h8,22-23,25-49,51-56,64,66-80H,9-21H2,1-7H3,(H,81,82)

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