PCIDB

KNApSAcK Metabolite C00048607

Metabolite

KNApSAcK Entry

id C00048607
Name Arguside B / (+)-Arguside B
CAS RN 1000701-32-5
Standard InChI InChI=1S/C67H110O33/c1-26(2)12-11-16-65(8)66(85)19-18-64(7)28-13-14-35-62(4,5)37(15-17-63(35,6)29(28)20-36(72)67(64,66)61(84)100-65)95-60-54(42(77)34(25-88-60)94-56-47(82)52(40(75)32(23-70)90-56)97-57-45(80)50(86-9)38(73)30(21-68)91-57)99-55-44(79)43(78)49(27(3)89-55)96-59-48(83)53(41(76)33(24-71)93-59)98-58-46(81)51(87-10)39(74)31(22-69)92-58/h20,26-28,30-60,68-83,85H,11-19,21-25H2,1-10H3/t27-,28-,30-,31-,32-,33-,34?,35+,36+,37+,38-,39-,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60+,63-,64+,65+,66+,67-/m1/s1
Standard InChI (Main Layer) InChI=1S/C67H110O33/c1-26(2)12-11-16-65(8)66(85)19-18-64(7)28-13-14-35-62(4,5)37(15-17-63(35,6)29(28)20-36(72)67(64,66)61(84)100-65)95-60-54(42(77)34(25-88-60)94-56-47(82)52(40(75)32(23-70)90-56)97-57-45(80)50(86-9)38(73)30(21-68)91-57)99-55-44(79)43(78)49(27(3)89-55)96-59-48(83)53(41(76)33(24-71)93-59)98-58-46(81)51(87-10)39(74)31(22-69)92-58/h20,26-28,30-60,68-83,85H,11-19,21-25H2,1-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 247

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
Holothuriidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bohadschia argus 240130 Holothuriidae Metazoa