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CHEBI:225128 - Armochaetoglobin D

ChEBI IDCHEBI:225128
ChEBI NameArmochaetoglobin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O6
Net Charge0
Average Mass546.664
Monoisotopic Mass546.27299
SMILESC/C(C=O)=C\C(C)C/C=C/[C@H]1[C@@H]2O[C@]2(C)[C@@H](C)[C@H]2[C@H](Cc3cnc4ccccc34)NC(=O)[C@]21C(=O)CCC(=O)O
InChIInChI=1S/C32H38N2O6/c1-18(14-19(2)17-35)8-7-10-23-29-31(4,40-29)20(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-30(39)32(23,28)26(36)12-13-27(37)38/h5-7,9-11,14,16-18,20,23,25,28-29,33H,8,12-13,15H2,1-4H3,(H,34,39)(H,37,38)/b10-7+,19-14+/t18?,20-,23-,25-,28-,29-,31+,32+/m0/s1
InChIKeyLIPZGVKJZMDGAP-SFEZYXITSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (26068802)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglobin D (CHEBI:225128) is a isoindoles (CHEBI:24897)
IUPAC Name 
4-[(1aS,2R,2aR,5S,5aR,6S,6aR)-2-[(1E,5E)-4,6-dimethyl-7-oxohepta-1,5-dienyl]-5-(1H-indol-3-ylmethyl)-6,6a-dimethyl-3-oxo-1a,2,4,5,5a,6-hexahydrooxireno[2,3-]isoindol-2a-yl]-4-oxobutanoic acid
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58859537ChemSpider