PCIDB

KNApSAcK Metabolite C00045033

Metabolite

KNApSAcK Entry

id C00045033
Name Psilasteroside / (+)-Psilasteroside
CAS RN 528880-44-6
Standard InChI InChI=1S/C61H100O32S/c1-22(2)31(64)17-61(8,77)36-10-9-28-27-16-32(30-15-26(20-82-94(78,79)80)11-13-59(30,6)29(27)12-14-60(28,36)7)86-55-47(75)50(39(67)24(4)84-55)91-57-51(92-53-46(74)43(71)37(65)23(3)83-53)42(70)35(21-81-57)89-58-52(44(72)40(68)33(18-62)88-58)93-56-48(76)49(38(66)25(5)85-56)90-54-45(73)41(69)34(19-63)87-54/h12,22-28,30,32-58,62-63,65-77H,9-11,13-21H2,1-8H3,(H,78,79,80)/t23-,24-,25-,26+,27+,28+,30-,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+,61+/m1/s1
Standard InChI (Main Layer) InChI=1S/C61H100O32S/c1-22(2)31(64)17-61(8,77)36-10-9-28-27-16-32(30-15-26(20-82-94(78,79)80)11-13-59(30,6)29(27)12-14-60(28,36)7)86-55-47(75)50(39(67)24(4)84-55)91-57-51(92-53-46(74)43(71)37(65)23(3)83-53)42(70)35(21-81-57)89-58-52(44(72)40(68)33(18-62)88-58)93-56-48(76)49(38(66)25(5)85-56)90-54-45(73)41(69)34(19-63)87-54/h12,22-28,30,32-58,62-63,65-77H,9-11,13-21H2,1-8H3,(H,78,79,80)

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
Astropectinidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Psilaster cassiope 655566 Astropectinidae Metazoa