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CHEBI:216074 - Armochaetoglasin B

ChEBI IDCHEBI:216074
ChEBI NameArmochaetoglasin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42N2O7
Net Charge0
Average Mass590.717
Monoisotopic Mass590.29920
SMILESCOC(=O)CCC(=O)[C@@]12C(=O)N[C@@H](Cc3cnc4ccccc34)[C@@H]1[C@H](C)[C@@]1(C)O[C@H]1[C@@H]2/C=C/CC(C)/C=C(\C)C(=O)OC
InChIInChI=1S/C34H42N2O7/c1-19(16-20(2)31(39)42-6)10-9-12-24-30-33(4,43-30)21(3)29-26(17-22-18-35-25-13-8-7-11-23(22)25)36-32(40)34(24,29)27(37)14-15-28(38)41-5/h7-9,11-13,16,18-19,21,24,26,29-30,35H,10,14-15,17H2,1-6H3,(H,36,40)/b12-9+,20-16+/t19?,21-,24-,26-,29-,30-,33+,34+/m0/s1
InChIKeyHAZLVZSIVFGPET-FOMIYRQZSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (30268043)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglasin B (CHEBI:216074) is a indoles (CHEBI:24828)
IUPAC Name 
methyl (2E,6E)-7-[(1aS,2R,2aR,5S,5aR,6S,6aR)-5-(1H-indol-3-ylmethyl)-2a-(4-methoxy-4-oxobutanoyl)-6,6a-dimethyl-3-oxo-1a,2,4,5,5a,6-hexahydrooxireno[2,3-]isoindol-2-yl]-2,4-dimethylhepta-2,6-dienoate
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