PCIDB

KNApSAcK Metabolite C00040249

Metabolite

KNApSAcK Entry

id C00040249
Name Scaberoside Hg
CAS RN 154971-88-7
Standard InChI InChI=1S/C69H110O35/c1-24-36(75)39(78)43(82)58(94-24)100-51-30(73)23-93-62(54(51)103-59-45(84)41(80)49(25(2)95-59)98-57-47(86)50(29(72)22-92-57)99-56-42(81)37(76)28(71)21-91-56)104-63(90)69-17-16-64(3,4)18-27(69)26-10-11-33-66(7)14-13-35(65(5,6)32(66)12-15-67(33,8)68(26,9)19-34(69)74)97-61-48(87)52(46(85)53(102-61)55(88)89)101-60-44(83)40(79)38(77)31(20-70)96-60/h10,24-25,27-54,56-62,70-87H,11-23H2,1-9H3,(H,88,89)
Standard InChI (Main Layer) InChI=1S/C69H110O35/c1-24-36(75)39(78)43(82)58(94-24)100-51-30(73)23-93-62(54(51)103-59-45(84)41(80)49(25(2)95-59)98-57-47(86)50(29(72)22-92-57)99-56-42(81)37(76)28(71)21-91-56)104-63(90)69-17-16-64(3,4)18-27(69)26-10-11-33-66(7)14-13-35(65(5,6)32(66)12-15-67(33,8)68(26,9)19-34(69)74)97-61-48(87)52(46(85)53(102-61)55(88)89)101-60-44(83)40(79)38(77)31(20-70)96-60/h10,24-25,27-54,56-62,70-87H,11-23H2,1-9H3,(H,88,89)

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