PCIDB

KNApSAcK Metabolite C00040245

Metabolite

KNApSAcK Entry

id C00040245
Name Scaberoside Hc1
CAS RN 150172-26-2
Standard InChI InChI=1S/C68H108O34/c1-24-36(74)39(77)44(82)58(93-24)98-50-31(72)23-92-61(53(50)101-60-47(85)51(48(25(2)94-60)96-55-42(80)37(75)28(69)20-89-55)99-57-46(84)49(30(71)22-91-57)97-56-43(81)38(76)29(70)21-90-56)102-62(88)68-17-16-63(3,4)18-27(68)26-10-11-33-65(7)14-13-35(95-59-45(83)40(78)41(79)52(100-59)54(86)87)64(5,6)32(65)12-15-66(33,8)67(26,9)19-34(68)73/h10,24-25,27-53,55-61,69-85H,11-23H2,1-9H3,(H,86,87)
Standard InChI (Main Layer) InChI=1S/C68H108O34/c1-24-36(74)39(77)44(82)58(93-24)98-50-31(72)23-92-61(53(50)101-60-47(85)51(48(25(2)94-60)96-55-42(80)37(75)28(69)20-89-55)99-57-46(84)49(30(71)22-91-57)97-56-43(81)38(76)29(70)21-90-56)102-62(88)68-17-16-63(3,4)18-27(68)26-10-11-33-65(7)14-13-35(95-59-45(83)40(78)41(79)52(100-59)54(86)87)64(5,6)32(65)12-15-66(33,8)67(26,9)19-34(68)73/h10,24-25,27-53,55-61,69-85H,11-23H2,1-9H3,(H,86,87)

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