PCIDB

KNApSAcK Metabolite C00003502

Metabolite

KNApSAcK Entry

id C00003502
Name Avenacin A-1
CAS RN 90547-90-3
Standard InChI InChI=1S/C55H83NO21/c1-49(23-59)17-32-51(3,19-36(49)74-45(69)25-10-8-9-11-26(25)56-7)33(61)18-54(6)53(5)15-12-30-50(2,31(53)16-35-55(32,54)77-35)14-13-34(52(30,4)24-60)75-48-44(76-47-43(68)41(66)38(63)28(21-58)72-47)39(64)29(22-70-48)73-46-42(67)40(65)37(62)27(20-57)71-46/h8-11,23,27-44,46-48,56-58,60-68H,12-22,24H2,1-7H3/t27?,28?,29-,30+,31+,32+,33-,34-,35+,36-,37+,38+,39-,40-,41-,42?,43?,44?,46-,47-,48-,49-,50-,51-,52-,53+,54-,55+/m0/s1
Standard InChI (Main Layer) InChI=1S/C55H83NO21/c1-49(23-59)17-32-51(3,19-36(49)74-45(69)25-10-8-9-11-26(25)56-7)33(61)18-54(6)53(5)15-12-30-50(2,31(53)16-35-55(32,54)77-35)14-13-34(52(30,4)24-60)75-48-44(76-47-43(68)41(66)38(63)28(21-58)72-47)39(64)29(22-70-48)73-46-42(67)40(65)37(62)27(20-57)71-46/h8-11,23,27-44,46-48,56-58,60-68H,12-22,24H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 2066

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08926

CTD

By CAS RN C091460

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Poaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Avena sativa 4498 Poaceae Liliopsida Viridiplantae