PCIDB

KNApSAcK Metabolite C00040247

Metabolite

KNApSAcK Entry

id C00040247
Name Scaberoside Hd
CAS RN 154971-86-5
Standard InChI InChI=1S/C73H116O38/c1-25-38(80)42(84)46(88)63(101-25)106-53-33(78)24-100-66(57(53)110-64-50(92)55(51(26(2)102-64)104-59-43(85)39(81)29(74)20-96-59)108-62-48(90)52(32(77)23-99-62)105-60-44(86)40(82)30(75)21-97-60)111-67(95)73-17-16-68(3,4)18-28(73)27-10-11-35-70(7)14-13-37(69(5,6)34(70)12-15-71(35,8)72(27,9)19-36(73)79)103-65-49(91)54(47(89)56(109-65)58(93)94)107-61-45(87)41(83)31(76)22-98-61/h10,25-26,28-57,59-66,74-92H,11-24H2,1-9H3,(H,93,94)
Standard InChI (Main Layer) InChI=1S/C73H116O38/c1-25-38(80)42(84)46(88)63(101-25)106-53-33(78)24-100-66(57(53)110-64-50(92)55(51(26(2)102-64)104-59-43(85)39(81)29(74)20-96-59)108-62-48(90)52(32(77)23-99-62)105-60-44(86)40(82)30(75)21-97-60)111-67(95)73-17-16-68(3,4)18-28(73)27-10-11-35-70(7)14-13-37(69(5,6)34(70)12-15-71(35,8)72(27,9)19-36(73)79)103-65-49(91)54(47(89)56(109-65)58(93)94)107-61-45(87)41(83)31(76)22-98-61/h10,25-26,28-57,59-66,74-92H,11-24H2,1-9H3,(H,93,94)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 49

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