PCIDB

KNApSAcK Metabolite C00027876

Metabolite

KNApSAcK Entry

id C00027876
Name Aplyronine A
CAS RN 151923-84-1
Standard InChI InChI=1S/C59H101N3O14/c1-38-27-28-39(2)50(72-18)31-29-40(3)56(67)44(7)52(76-59(69)49(36-70-16)61(13)14)24-20-19-21-26-54(65)74-51(25-22-23-48(35-38)71-17)43(6)55(66)41(4)30-32-53(75-58(68)46(9)60(11)12)45(8)57(73-47(10)64)42(5)33-34-62(15)37-63/h19-23,26,28,33-34,37-38,40-46,48-53,55-57,66-67H,24-25,27,29-32,35-36H2,1-18H3/b20-19+,23-22+,26-21+,34-33+,39-28-
Standard InChI (Main Layer) InChI=1S/C59H101N3O14/c1-38-27-28-39(2)50(72-18)31-29-40(3)56(67)44(7)52(76-59(69)49(36-70-16)61(13)14)24-20-19-21-26-54(65)74-51(25-22-23-48(35-38)71-17)43(6)55(66)41(4)30-32-53(75-58(68)46(9)60(11)12)45(8)57(73-47(10)64)42(5)33-34-62(15)37-63/h19-23,26,28,33-34,37-38,40-46,48-53,55-57,66-67H,24-25,27,29-32,35-36H2,1-18H3

Cluster

Phytochemical cluster
KCF-S cluster No. 6333

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL412190

KEGG

By LinkDB C16878

CTD

By CAS RN C104057

Species

Summary

Plant class

class name count

Family

family name count
Aplysiidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aplysia kurodai 6501 Aplysiidae Metazoa