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CHEBI:216080 - Armochaetoglasin C

ChEBI IDCHEBI:216080
ChEBI NameArmochaetoglasin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40N2O5
Net Charge0
Average Mass544.692
Monoisotopic Mass544.29372
SMILESCOC(=O)CCC(=O)[C@@]12C(=O)N[C@@H](Cc3cnc4ccccc34)[C@@H]1[C@H](C)C(C)=C[C@@H]2/C=C/CC(C)/C=C(\C)C=O
InChIInChI=1S/C33H40N2O5/c1-20(15-21(2)19-36)9-8-10-25-16-22(3)23(4)31-28(17-24-18-34-27-12-7-6-11-26(24)27)35-32(39)33(25,31)29(37)13-14-30(38)40-5/h6-8,10-12,15-16,18-20,23,25,28,31,34H,9,13-14,17H2,1-5H3,(H,35,39)/b10-8+,21-15+/t20?,23-,25+,28+,31+,33-/m1/s1
InChIKeyGONMAPGEEGOZBM-KHJMZJOESA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (30268043)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglasin C (CHEBI:216080) is a indoles (CHEBI:24828)
IUPAC Name 
methyl 4-[(1S,3aS,4S,7S,7aR)-4-[(1E,5E)-4,6-dimethyl-7-oxohepta-1,5-dienyl]-1-(1H-indol-3-ylmethyl)-6,7-dimethyl-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-3a-yl]-4-oxobutanoate
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