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CHEBI:199992 - Armochaetoglobin B

ChEBI IDCHEBI:199992
ChEBI NameArmochaetoglobin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O4
Net Charge0
Average Mass514.666
Monoisotopic Mass514.28316
SMILESCC1=C[C@@H](C)CC=C[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](Cc4cnc5ccccc45)NC(=O)[C@@]23C(=O)CCC(=O)C1
InChIInChI=1S/C32H38N2O4/c1-19-7-6-8-24-15-23(18-35)21(3)30-28(16-22-17-33-27-10-5-4-9-26(22)27)34-31(38)32(24,30)29(37)12-11-25(36)14-20(2)13-19/h4-6,8-10,13,15,17,19,21,24,28,30,33,35H,7,11-12,14,16,18H2,1-3H3,(H,34,38)/t19-,21+,24-,28-,30-,32+/m0/s1
InChIKeyVFAYVFXEKSOZAD-KHZDPQTQSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (26068802)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglobin B (CHEBI:199992) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,9S,13S,16S,17R,18S)-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