PCIDB

KNApSAcK Metabolite C00039777

Metabolite

KNApSAcK Entry

id C00039777
Name Misakinolide A
CAS RN 105304-96-9
Standard InChI InChI=1S/C74H128O20/c1-41(25-29-59-35-61(85-13)31-45(5)89-59)69(81)51(11)71-49(9)65(79)39-63(77)47(7)67(87-15)37-57-21-18-20-56(92-57)34-54(76)28-24-44(4)74(84)94-72(52(12)70(82)42(2)26-30-60-36-62(86-14)32-46(6)90-60)50(10)66(80)40-64(78)48(8)68(88-16)38-58-22-17-19-55(91-58)33-53(75)27-23-43(3)73(83)93-71/h17-20,23-24,41-42,45-72,75-82H,21-22,25-40H2,1-16H3/b43-23+,44-24+/t41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61+,62+,63-,64-,65+,66+,67-,68-,69-,70-,71-,72-/m0/s1
Standard InChI (Main Layer) InChI=1S/C74H128O20/c1-41(25-29-59-35-61(85-13)31-45(5)89-59)69(81)51(11)71-49(9)65(79)39-63(77)47(7)67(87-15)37-57-21-18-20-56(92-57)34-54(76)28-24-44(4)74(84)94-72(52(12)70(82)42(2)26-30-60-36-62(86-14)32-46(6)90-60)50(10)66(80)40-64(78)48(8)68(88-16)38-58-22-17-19-55(91-58)33-53(75)27-23-43(3)73(83)93-71/h17-20,23-24,41-42,45-72,75-82H,21-22,25-40H2,1-16H3

Cluster

Phytochemical cluster
KCF-S cluster No. 888

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN C104924

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