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CHEBI:203162 - Armochaetoglobin O

ChEBI IDCHEBI:203162
ChEBI NameArmochaetoglobin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H37N3O3
Net Charge0
Average Mass511.666
Monoisotopic Mass511.28349
SMILESCC1=C(C)[C@H]2[C@H](Cc3cnc4ccccc34)NC(=O)[C@]23c2ccc(n2)C(=O)[C@@H](C)C[C@@H](C)CC=C[C@H]3[C@@H]1O
InChIInChI=1S/C32H37N3O3/c1-17-8-7-10-23-30(37)20(4)19(3)28-26(15-21-16-33-24-11-6-5-9-22(21)24)35-31(38)32(23,28)27-13-12-25(34-27)29(36)18(2)14-17/h5-7,9-13,16-18,23,26,28,30,33-34,37H,8,14-15H2,1-4H3,(H,35,38)/t17-,18-,23-,26-,28-,30+,32+/m0/s1
InChIKeyKJMPCWQWZNLNTM-MMGNQZIRSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - DOI (10.1002/ejoc.201403678)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglobin O (CHEBI:203162) is a indoles (CHEBI:24828)
IUPAC Name 
(2R,5S,6R,9S,10R,14S,16S)-9-hydroxy-5-(1H-indol-3-ylmethyl)-7,8,14,16-tetramethyl-4,21-diazatetracyclo[16.2.1.02,6.02,10]henicosa-1(20),7,11,18-tetraene-3,17-dione