PCIDB

KNApSAcK Metabolite C00049772

Metabolite

KNApSAcK Entry

id C00049772
Name 16-epi-Scalarolbutenolide
CAS RN 201788-71-8
Standard InChI InChI=1S/C41H52O10/c1-22(42)49-32-19-29-37(3,4)31(51-36(47)24-13-11-10-12-14-24)20-33(50-23(2)43)40(29,8)28-15-16-39(7)30(41(28,32)9)18-26(44)34(39)25-17-27(45)35(46)38(5,6)48-21-25/h10-14,18,25,28-29,31-34H,15-17,19-21H2,1-9H3/t25-,28-,29+,31-,32-,33+,34-,39-,40-,41-/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H52O10/c1-22(42)49-32-19-29-37(3,4)31(51-36(47)24-13-11-10-12-14-24)20-33(50-23(2)43)40(29,8)28-15-16-39(7)30(41(28,32)9)18-26(44)34(39)25-17-27(45)35(46)38(5,6)48-21-25/h10-14,18,25,28-29,31-34H,15-17,19-21H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2887

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL412738

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Spongiidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Spongia agaricina 121490 Spongiidae Metazoa