PCIDB

KNApSAcK Metabolite C00040246

Metabolite

KNApSAcK Entry

id C00040246
Name Scaberoside Hc2
CAS RN 154971-85-4
Standard InChI InChI=1S/C68H108O34/c1-24-36(74)39(77)43(81)58(93-24)98-50-31(72)23-92-61(53(50)101-59-44(82)40(78)48(25(2)94-59)96-57-46(84)49(30(71)22-91-57)97-55-41(79)37(75)28(69)20-89-55)102-62(88)68-17-16-63(3,4)18-27(68)26-10-11-33-65(7)14-13-35(64(5,6)32(65)12-15-66(33,8)67(26,9)19-34(68)73)95-60-47(85)51(45(83)52(100-60)54(86)87)99-56-42(80)38(76)29(70)21-90-56/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)43(81)58(93-24)98-50-31(72)23-92-61(53(50)101-59-44(82)40(78)48(25(2)94-59)96-57-46(84)49(30(71)22-91-57)97-55-41(79)37(75)28(69)20-89-55)102-62(88)68-17-16-63(3,4)18-27(68)26-10-11-33-65(7)14-13-35(64(5,6)32(65)12-15-66(33,8)67(26,9)19-34(68)73)95-60-47(85)51(45(83)52(100-60)54(86)87)99-56-42(80)38(76)29(70)21-90-56/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