CHEBI:6783 - Messagenin

ChEBI IDCHEBI:6783
ChEBI NameMessagenin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H48O3
Net Charge0
Average Mass444.700
Monoisotopic Mass444.36035
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(CO)CC[C@@H](C(C)=O)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C29H48O3/c1-18(31)19-9-14-29(17-30)16-15-27(5)20(24(19)29)7-8-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,27)6/h19-24,30,32H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24+,26-,27+,28+,29+/m0/s1
InChIKeyBSALBDFYJLSIOZ-UGWIBKDRSA-N
ChEBI Ontology
Outgoing Relation(s)
Messagenin (CHEBI:6783) is a hydroxy steroid (CHEBI:35350)
Synonym  Source
MessageninKEGG COMPOUND
Manual XrefsDatabases
C00003751KNApSAcK
C08631KEGG COMPOUND
Registry NumbersSources
CAS:18211-63-7KEGG COMPOUND