EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:224779 - Armochaetoglobin M

ChEBI IDCHEBI:224779
ChEBI NameArmochaetoglobin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H35N3O4
Net Charge0
Average Mass525.649
Monoisotopic Mass525.26276
SMILESCC1=C[C@@H](C)CC=C[C@H]2[C@H](O)[C@@]3(C)O[C@@]4(Cc5cnc6ccccc56)NC(=O)[C@]2(c2ccc(n2)C1=O)[C@H]4[C@@H]3C
InChIInChI=1S/C32H35N3O4/c1-17-8-7-10-22-28(37)30(4)19(3)27-31(39-30,15-20-16-33-23-11-6-5-9-21(20)23)35-29(38)32(22,27)25-13-12-24(34-25)26(36)18(2)14-17/h5-7,9-14,16-17,19,22,27-28,33-34,37H,8,15H2,1-4H3,(H,35,38)/t17-,19-,22-,27-,28-,30-,31+,32+/m0/s1
InChIKeyGAMLBHMRIRKCAU-PWWMUABTSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - DOI (10.1002/ejoc.201403678)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglobin M (CHEBI:224779) is a indoles (CHEBI:24828)
IUPAC Name 
(2S,5R,6R,7S,8S,9S,10R,14S)-9-hydroxy-5-(1H-indol-3-ylmethyl)-7,8,14,16-tetramethyl-22-oxa-4,21-diazapentacyclo[16.2.1.15,8.02,6.02,10]docosa-1(20),11,15,18-tetraene-3,17-dione