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CHEBI:213172 - Speradine D

ChEBI IDCHEBI:213172
ChEBI NameSperadine D
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SubmitterMetaboLights
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FormulaC20H22N2O5
Net Charge0
Average Mass370.405
Monoisotopic Mass370.15287
SMILESCC(=O)CC(=O)N1C(=O)[C@@H]2[C@@H](Cc3cccc4c3[C@@]2(O)C(=O)N4C)C1(C)C
InChIInChI=1S/C20H22N2O5/c1-10(23)8-14(24)22-17(25)16-12(19(22,2)3)9-11-6-5-7-13-15(11)20(16,27)18(26)21(13)4/h5-7,12,16,27H,8-9H2,1-4H3/t12-,16+,20+/m1/s1
InChIKeyKKGFMAANSDFYDF-QROBEVECSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - DOI (10.3987/com-14-13004)
ChEBI Ontology
Outgoing Relation(s)
Speradine D (CHEBI:213172) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2R,6R)-1-hydroxy-5,5,13-trimethyl-4-(3-oxobutanoyl)-4,13-diazatetracyclo[6.6.1.02,6.012,15]pentadeca-8(15),9,11-triene-3,14-dione
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35516951ChemSpider