PCIDB

KNApSAcK Metabolite C00043901

Metabolite

KNApSAcK Entry

id C00043901
Name Scabiosaponin H / (-)-Scabiosaponin H
CAS RN 689257-68-9
Standard InChI InChI=1S/C65H106O32/c1-24-11-16-65(59(84)97-56-46(81)42(77)39(74)31(92-56)23-87-53-44(79)40(75)37(72)28(19-66)89-53)18-17-62(6)26(52(65)64(24,8)85)9-10-33-61(5)14-13-34(60(3,4)32(61)12-15-63(33,62)7)93-58-51(36(71)27(69)22-86-58)96-57-48(83)50(35(70)25(2)88-57)95-55-47(82)43(78)49(30(21-68)91-55)94-54-45(80)41(76)38(73)29(20-67)90-54/h9,24-25,27-58,66-83,85H,10-23H2,1-8H3/t24-,25+,27-,28-,29-,30-,31-,32+,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58+,61+,62-,63-,64-,65+/m1/s1
Standard InChI (Main Layer) InChI=1S/C65H106O32/c1-24-11-16-65(59(84)97-56-46(81)42(77)39(74)31(92-56)23-87-53-44(79)40(75)37(72)28(19-66)89-53)18-17-62(6)26(52(65)64(24,8)85)9-10-33-61(5)14-13-34(60(3,4)32(61)12-15-63(33,62)7)93-58-51(36(71)27(69)22-86-58)96-57-48(83)50(35(70)25(2)88-57)95-55-47(82)43(78)49(30(21-68)91-55)94-54-45(80)41(76)38(73)29(20-67)90-54/h9,24-25,27-58,66-83,85H,10-23H2,1-8H3

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
Caprifoliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Scabiosa tschiliensis 180067 Caprifoliaceae asterids Viridiplantae