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CHEBI:216562 - Armochaetoglobin I

ChEBI IDCHEBI:216562
ChEBI NameArmochaetoglobin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40N2O4
Net Charge0
Average Mass516.682
Monoisotopic Mass516.29881
SMILESCC1=C[C@@H]2C=CC[C@H](C)C=C(C)[C@@H](O)[C@@H](O)CCC(=O)[C@]23C(=O)N[C@@H](Cc2cnc4ccccc24)[C@@H]3[C@@H]1C
InChIInChI=1S/C32H40N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26-27,29-30,33,35,37H,8,12-13,16H2,1-4H3,(H,34,38)/t18-,21+,23-,26-,27-,29-,30+,32+/m0/s1
InChIKeyPIJSZACUNSKNMK-AYMOVDLFSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (26068802)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglobin I (CHEBI:216562) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,5S,6R,9S,13S,16S,17R,18S)-5,6-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,20-dione