PCIDB

KNApSAcK Metabolite C00028514

Metabolite

KNApSAcK Entry

id C00028514
Name Lycoperoside C / (23S,25S)-23-Acetoxy-5alpha,22alphaN-Spirosolan-3beta-ol
CAS RN 176300-87-1
Standard InChI InChI=1S/C52H85NO23/c1-20-12-33(68-22(3)57)52(53-15-20)21(2)34-29(76-52)14-27-25-7-6-23-13-24(8-10-50(23,4)26(25)9-11-51(27,34)5)69-47-42(66)39(63)43(32(18-56)72-47)73-49-45(75-48-41(65)38(62)36(60)30(16-54)70-48)44(37(61)31(17-55)71-49)74-46-40(64)35(59)28(58)19-67-46/h20-21,23-49,53-56,58-66H,6-19H2,1-5H3/t20-,21-,23-,24-,25+,26-,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-/m0/s1
Standard InChI (Main Layer) InChI=1S/C52H85NO23/c1-20-12-33(68-22(3)57)52(53-15-20)21(2)34-29(76-52)14-27-25-7-6-23-13-24(8-10-50(23,4)26(25)9-11-51(27,34)5)69-47-42(66)39(63)43(32(18-56)72-47)73-49-45(75-48-41(65)38(62)36(60)30(16-54)70-48)44(37(61)31(17-55)71-49)74-46-40(64)35(59)28(58)19-67-46/h20-21,23-49,53-56,58-66H,6-19H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

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 2

Family

family name count
Solanaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Lycopersicon esculentum Miller 49274 Solanaceae asterids Viridiplantae
Lycopersicon sculentum 49274 Solanaceae asterids Viridiplantae