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CHEBI:216096 - Armochaetoglasin A

ChEBI IDCHEBI:216096
ChEBI NameArmochaetoglasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO7
Net Charge0
Average Mass523.626
Monoisotopic Mass523.25700
SMILESCC1=C[C@@H](C)C/C=C/[C@H]2[C@H](O)[C@@]3(C)O[C@@]4(Cc5ccc(O)cc5)NC(=O)[C@]2(C(=O)CC[C@H](O)C1=O)[C@H]4[C@@H]3C
InChIInChI=1S/C30H37NO7/c1-16-6-5-7-21-26(36)28(4)18(3)25-29(38-28,15-19-8-10-20(32)11-9-19)31-27(37)30(21,25)23(34)13-12-22(33)24(35)17(2)14-16/h5,7-11,14,16,18,21-22,25-26,32-33,36H,6,12-13,15H2,1-4H3,(H,31,37)/b7-5+,17-14?/t16-,18-,21-,22-,25-,26-,28-,29+,30+/m0/s1
InChIKeyRLJGWXUOESLUCX-YRIRNYTKSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (30268043)
ChEBI Ontology
Outgoing Relation(s)
Armochaetoglasin A (CHEBI:216096) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,2S,3R,4E,7S,11S,15S,18R,19R,20S)-2,11-dihydroxy-18-[(4-hydroxyphenyl)methyl]-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.03,15.015,19]henicosa-4,8-diene-10,14,16-trione