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CHEBI:217146 - 3-hydroxysperadine A

ChEBI IDCHEBI:217146
ChEBI Name3-hydroxysperadine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O5
Net Charge0
Average Mass382.416
Monoisotopic Mass382.15287
SMILESCC(=O)C1=C(O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5c4[C@]3(O)C(=O)N5C)C(C)(C)N2C1=O
InChIInChI=1S/C21H22N2O5/c1-9(24)13-17(25)16-15-11(20(2,3)23(16)18(13)26)8-10-6-5-7-12-14(10)21(15,28)19(27)22(12)4/h5-7,11,15-16,25,28H,8H2,1-4H3/t11-,15+,16+,21-/m1/s1
InChIKeyNYSVXBBJDRMRRZ-QHKHEEJVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29985105)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxysperadine A (CHEBI:217146) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,2S,3S,9R)-5-acetyl-1,4-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-4,11(18),12,14-tetraene-6,17-dione