PCIDB

KNApSAcK Metabolite C00047171

Metabolite

KNApSAcK Entry

id C00047171
Name Amaroxocane B / (+)-Amaroxocane B
CAS RN 1111098-57-7
Standard InChI InChI=1S/C54H86O20S4/c1-28(33-11-13-35-31-21-44(70-75(57,58)59)39-23-41(55)46(72-77(63,64)65)26-52(39,7)37(31)16-18-50(33,35)5)10-15-48-54(9)25-30(49(3,4)74-54)20-43(69-48)29(2)34-12-14-36-32-22-45(71-76(60,61)62)40-24-42(56)47(73-78(66,67)68)27-53(40,8)38(32)17-19-51(34,36)6/h28-30,33-34,36-37,39-48,55-56H,10-27H2,1-9H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t28-,29+,30-,33-,34-,36+,37+,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,50-,51-,52-,53-,54-/m1/s1
Standard InChI (Main Layer) InChI=1S/C54H86O20S4/c1-28(33-11-13-35-31-21-44(70-75(57,58)59)39-23-41(55)46(72-77(63,64)65)26-52(39,7)37(31)16-18-50(33,35)5)10-15-48-54(9)25-30(49(3,4)74-54)20-43(69-48)29(2)34-12-14-36-32-22-45(71-76(60,61)62)40-24-42(56)47(73-78(66,67)68)27-53(40,8)38(32)17-19-51(34,36)6/h28-30,33-34,36-37,39-48,55-56H,10-27H2,1-9H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)

Cluster

Phytochemical cluster
KCF-S cluster No. 2797

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Hymedesmiidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Phorbas amaranthus 1336879 Hymedesmiidae Metazoa