PCIDB

KNApSAcK Metabolite C00042254

Metabolite

KNApSAcK Entry

id C00042254
Name Aurantoside H / (-)-Aurantoside H
CAS RN 845553-23-3
Standard InChI InChI=1S/C28H35ClN2O12/c1-14(29)9-7-5-3-2-4-6-8-10-16(32)20-21(36)15(11-19(30)35)31(26(20)40)27-25(23(38)18(34)12-41-27)43-28-24(39)22(37)17(33)13-42-28/h2-10,15,17-18,22-25,27-28,32-34,37-39H,11-13H2,1H3,(H2,30,35)/b3-2+,6-4+,7-5+,10-8+,14-9-,20-16-/t15-,17+,18+,22+,23-,24-,25+,27+,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H35ClN2O12/c1-14(29)9-7-5-3-2-4-6-8-10-16(32)20-21(36)15(11-19(30)35)31(26(20)40)27-25(23(38)18(34)12-41-27)43-28-24(39)22(37)17(33)13-42-28/h2-10,15,17-18,22-25,27-28,32-34,37-39H,11-13H2,1H3,(H2,30,35)

Cluster

Phytochemical cluster
KCF-S cluster No. 1234

Link

ChEMBL

By standard InChI CHEMBL449774
By standard InChI Main Layer CHEMBL449774

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Theonellidae 1

List (1)

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