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CHEBI:203634 - Armochaeglobine A

ChEBI IDCHEBI:203634
ChEBI NameArmochaeglobine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36N2O6
Net Charge0
Average Mass520.626
Monoisotopic Mass520.25734
SMILESCC(=O)[C@H]1[C@@H]2CC(=O)[C@@]34C(=O)N[C@@H](Cc5cnc6ccccc56)[C@@H]3[C@H](C)[C@@]3(C)O[C@H]3[C@@H]4[C@@H](OO)[C@@H]2C[C@@H]1C
InChIInChI=1S/C30H36N2O6/c1-13-9-19-18(23(13)15(3)33)11-22(34)30-24(14(2)29(4)27(37-29)25(30)26(19)38-36)21(32-28(30)35)10-16-12-31-20-8-6-5-7-17(16)20/h5-8,12-14,18-19,21,23-27,31,36H,9-11H2,1-4H3,(H,32,35)/t13-,14-,18+,19+,21-,23-,24-,25-,26-,27-,29+,30+/m0/s1
InChIKeyRKJMPHAHDKAJNT-YDFNABCYSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (25615686)
ChEBI Ontology
Outgoing Relation(s)
Armochaeglobine A (CHEBI:203634) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(1R,4R,5R,6S,8R,9S,10R,11S,13R,14S,15R,16S)-5-acetyl-9-hydroperoxy-16-(1H-indol-3-ylmethyl)-6,13,14-trimethyl-12-oxa-17-azapentacyclo[8.8.0.01,15.04,8.011,13]octadecane-2,18-dione
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34443301ChemSpider