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CHEBI:220349 - Cytoglobosin Ab

ChEBI IDCHEBI:220349
ChEBI NameCytoglobosin Ab
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N2O5
Net Charge0
Average Mass528.649
Monoisotopic Mass528.26242
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3cnc4ccccc34)NC(=O)[C@]23C(=O)C[C@@H]2C(=O)C(O)=C(C)[C@H]2[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C32H36N2O5/c1-15-8-7-10-22-28(36)17(3)16(2)27-24(12-19-14-33-23-11-6-5-9-20(19)23)34-31(39)32(22,27)25(35)13-21-26(15)18(4)29(37)30(21)38/h5-7,9-11,14-16,21-22,24,26-28,33,36-37H,3,8,12-13H2,1-2,4H3,(H,34,39)/b10-7+/t15-,16+,21-,22-,24-,26+,27-,28+,32+/m0/s1
InChIKeyVROGJHMZKMLYET-PYQCMCISSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (28403641)
ChEBI Ontology
Outgoing Relation(s)
Cytoglobosin Ab (CHEBI:220349) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,4S,8S,9S,11E,13R,14S,16S,17R,18S)-6,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatetracyclo[11.7.0.01,17.04,8]icosa-6,11-diene-2,5,20-trione
Manual XrefsDatabases
78441855ChemSpider