PCIDB

KNApSAcK Metabolite C00040244

Metabolite

KNApSAcK Entry

id C00040244
Name Scaberoside Hb2
CAS RN 150172-25-1
Standard InChI InChI=1S/C63H100O30/c1-23-34(68)36(70)41(75)53(85-23)90-47-29(66)22-84-56(49(47)92-54-43(77)39(73)45(24(2)86-54)88-52-44(78)46(28(65)21-83-52)89-51-40(74)35(69)27(64)20-82-51)93-57(81)63-17-16-58(3,4)18-26(63)25-10-11-31-60(7)14-13-33(87-55-42(76)37(71)38(72)48(91-55)50(79)80)59(5,6)30(60)12-15-61(31,8)62(25,9)19-32(63)67/h10,23-24,26-49,51-56,64-78H,11-22H2,1-9H3,(H,79,80)
Standard InChI (Main Layer) InChI=1S/C63H100O30/c1-23-34(68)36(70)41(75)53(85-23)90-47-29(66)22-84-56(49(47)92-54-43(77)39(73)45(24(2)86-54)88-52-44(78)46(28(65)21-83-52)89-51-40(74)35(69)27(64)20-82-51)93-57(81)63-17-16-58(3,4)18-26(63)25-10-11-31-60(7)14-13-33(87-55-42(76)37(71)38(72)48(91-55)50(79)80)59(5,6)30(60)12-15-61(31,8)62(25,9)19-32(63)67/h10,23-24,26-49,51-56,64-78H,11-22H2,1-9H3,(H,79,80)

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
asterids 1

Family

family name count
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aster scaber 385370 Asteraceae asterids Viridiplantae