CHEBI:216074 - Armochaetoglasin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Armochaetoglasin B
ChEBI ID CHEBI:216074
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H42N2O7
Net Charge 0
Average Mass 590.717
Monoisotopic Mass 590.29920
InChI InChI=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
InChIKey HAZLVZSIVFGPET-FOMIYRQZSA-N
SMILES O=C1N[C@@H](CC=2C3=C(C=CC=C3)NC2)[C@H]4[C@]1(C(=O)CCC(=O)OC)[C@@H](/C=C/CC(/C=C(/C(=O)OC)\C)C)[C@@H]5O[C@]5(C)[C@H]4C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78442213 ChemSpider
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