CHEBI:216092 - Armochaetoglasin G

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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 G
ChEBI ID CHEBI:216092
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H40N2O5
Net Charge 0
Average Mass 544.692
Monoisotopic Mass 544.29372
InChI InChI=1S/C33H40N2O5/c1-18-9-8-10-22-16-19(2)21(4)28-29(31(40-5)24-17-34-25-12-7-6-11-23(24)25)35-32(39)33(22,28)27(37)14-13-26(36)30(38)20(3)15-18/h6-8,10-12,15-18,21-22,26,28-29,31,34,36H,9,13-14H2,1-5H3,(H,35,39)/b10-8+,20-15+/t18-,21+,22-,26-,28-,29+,31-,33+/m0/s1
InChIKey JGTOXGPLZVQLAM-JYSUZCBZSA-N
SMILES O=C1C(=C[C@H](CC=C[C@@H]2[C@]3(C(CC[C@@H]1O)=O)C(=O)N[C@H]([C@@H]3[C@H](C)C(=C2)C)[C@@H](OC)C=4C5=C(C=CC=C5)NC4)C)C
Metabolite of Species Details
Chaetomium (NCBI:txid5149) See: PubMed
ChEBI Ontology
Outgoing Armochaetoglasin G (CHEBI:216092) is a indoles (CHEBI:24828)
IUPAC Name
(1S,5S,7E,9S,11E,13S,16S,17R,18R)-5-hydroxy-18-[(S)-1H-indol-3-yl(methoxy)methyl]-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,6,20-trione
Manual Xref Database
78442217 ChemSpider
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