PCIDB

KNApSAcK Metabolite C00049621

Metabolite

KNApSAcK Entry

id C00049621
Name Aurantoside A
CAS RN 137895-70-6
Standard InChI InChI=1S/C36H46Cl2N2O15/c1-17(37)13-19(38)11-9-7-5-4-6-8-10-12-21(41)25-27(45)20(14-24(39)43)40(33(25)49)34-31(28(46)22(42)15-51-34)55-35-30(48)29(47)23(16-52-35)54-36-32(50-3)26(44)18(2)53-36/h4-13,18,20,22-23,26,28-32,34-36,41-42,44,46-48H,14-16H2,1-3H3,(H2,39,43)/b5-4+,8-6+,9-7+,12-10+,17-13-,19-11-,25-21+
Standard InChI (Main Layer) InChI=1S/C36H46Cl2N2O15/c1-17(37)13-19(38)11-9-7-5-4-6-8-10-12-21(41)25-27(45)20(14-24(39)43)40(33(25)49)34-31(28(46)22(42)15-51-34)55-35-30(48)29(47)23(16-52-35)54-36-32(50-3)26(44)18(2)53-36/h4-13,18,20,22-23,26,28-32,34-36,41-42,44,46-48H,14-16H2,1-3H3,(H2,39,43)

Cluster

Phytochemical cluster
KCF-S cluster No. 1234

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL502660

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Theonellidae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Siliquariaspongia japonica
Theonella swinhoei 37505 Theonellidae Metazoa