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CHEBI:206245 - [(1S,13R,14S,17S,19S)-7-amino-10-hydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,6,8,10-tetraen-19-yl] acetate

ChEBI IDCHEBI:206245
ChEBI Name[(1S,13R,14S,17S,19S)-7-amino-10-hydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,6,8,10-tetraen-19-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34N2O4
Net Charge0
Average Mass426.557
Monoisotopic Mass426.25186
SMILESCC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CN=C5N)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C
InChIInChI=1S/C25H34N2O4/c1-13-6-7-19-23(3,4)20(30-14(2)28)8-9-25(19)24(13,5)11-16-18(29)10-15-17(21(16)31-25)12-27-22(15)26/h10,13,19-20,29H,6-9,11-12H2,1-5H3,(H2,26,27)/t13-,19-,20-,24+,25-/m0/s1
InChIKeySRQPHLOVMOMPSO-RGXVLITJSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (12014438)
ChEBI Ontology
Outgoing Relation(s)
[(1S,13R,14S,17S,19S)-7-amino-10-hydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,6,8,10-tetraen-19-yl] acetate (CHEBI:206245) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(1S,13R,14S,17S,19S)-7-amino-10-hydroxy-13,14,18,18-tetramethyl-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,6,8,10-tetraen-19-yl] acetate
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8517881ChemSpider