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CHEBI:216104 - Armochaetoglasin I

ChEBI IDCHEBI:216104
ChEBI NameArmochaetoglasin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N2O5
Net Charge0
Average Mass528.649
Monoisotopic Mass528.26242
SMILESC/C1=C\[C@@H](C)C/C=C/[C@H]2C(=O)[C@@H](C)[C@@H](C)[C@H]3[C@H](Cc4cnc5ccccc45)NC(=O)[C@]32C(=O)CCC(=O)C1=O
InChIInChI=1S/C32H36N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,19-20,23,25,28,33H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,19+,20-,23-,25-,28-,32+/m0/s1
InChIKeyZVGDMFNGQGPHGS-NGDLJYKJSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (30268043)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglasin I (CHEBI:216104) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,7E,9S,11E,13R,15S,16S,17R,18S)-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11-diene-2,5,6,14,20-pentone
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78442219ChemSpider