CHEBI:218842 - Armochaetoglobin H

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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 Armochaetoglobin H
ChEBI ID CHEBI:218842
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H38N2O5
Net Charge 0
Average Mass 530.665
Monoisotopic Mass 530.27807
InChI InChI=1S/C32H38N2O5/c1-18-7-6-8-23-14-22(17-35)20(3)29-26(15-21-16-33-25-10-5-4-9-24(21)25)34-31(39)32(23,29)28(37)12-11-27(36)30(38)19(2)13-18/h4-6,8-10,13-14,16,18,20,23,26,29-30,33,35,38H,7,11-12,15,17H2,1-3H3,(H,34,39)/t18-,20+,23-,26-,29-,30+,32+/m0/s1
InChIKey LTGWTFPLXKRKOU-GPWIJIDYSA-N
SMILES O=C1[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)C(=C[C@@H]3C=CC[C@H](C)C=C([C@H](C(CC1)=O)O)C)CO)CC=4C5=C(C=CC=C5)NC4
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Armochaetoglobin H (CHEBI:218842) is a indoles (CHEBI:24828)
IUPAC Name
(1S,6R,9S,13S,16S,17R,18S)-6-hydroxy-15-(hydroxymethyl)-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,5,20-trione