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CHEBI:205252 - Armochaetoglobin J

ChEBI IDCHEBI:205252
ChEBI NameArmochaetoglobin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36N2O6
Net Charge0
Average Mass544.648
Monoisotopic Mass544.25734
SMILESCC1=C[C@@H](C)CC=C[C@H]2[C@H](O)[C@@]3(C)O[C@@]4(Cc5cnc6ccccc56)NC(=O)[C@]2(C(=O)CCC(=O)C1=O)[C@H]4[C@@H]3C
InChIInChI=1S/C32H36N2O6/c1-17-8-7-10-22-28(38)30(4)19(3)27-31(40-30,15-20-16-33-23-11-6-5-9-21(20)23)34-29(39)32(22,27)25(36)13-12-24(35)26(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,27-28,33,38H,8,12-13,15H2,1-4H3,(H,34,39)/t17-,19-,22-,27-,28-,30-,31+,32+/m0/s1
InChIKeyFMJFHKTWWXZEKF-PWWMUABTSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (26068802)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglobin J (CHEBI:205252) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,2S,3R,7S,15S,18R,19R,20S)-2-hydroxy-18-(1H-indol-3-ylmethyl)-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.03,15.015,19]henicosa-4,8-diene-10,11,14,16-tetrone