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CHEBI:212942 - Armochaetoglobin C

ChEBI IDCHEBI:212942
ChEBI NameArmochaetoglobin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40N2O5
Net Charge0
Average Mass532.681
Monoisotopic Mass532.29372
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)CCCO
InChIInChI=1S/C32H40N2O5/c1-19(15-20(2)18-36)9-7-11-24-29-31(4,39-29)21(3)28-26(16-22-17-33-25-12-6-5-10-23(22)25)34-30(38)32(24,28)27(37)13-8-14-35/h5-7,10-12,15,17-19,21,24,26,28-29,33,35H,8-9,13-14,16H2,1-4H3,(H,34,38)/b11-7+,20-15+/t19?,21-,24-,26-,28-,29-,31+,32+/m0/s1
InChIKeyOSEWJHPVLNQIDS-BCSZRQCSSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (26068802)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglobin C (CHEBI:212942) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2E,6E)-7-[(1aS,2R,2aR,5S,5aR,6S,6aR)-2a-(4-hydroxybutanoyl)-5-(1H-indol-3-ylmethyl)-6,6a-dimethyl-3-oxo-1a,2,4,5,5a,6-hexahydrooxireno[2,3-]isoindol-2-yl]-2,4-dimethylhepta-2,6-dienal
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