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CHEBI:205544 - Acetylstachyflin

ChEBI IDCHEBI:205544
ChEBI NameAcetylstachyflin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO5
Net Charge0
Average Mass427.541
Monoisotopic Mass427.23587
SMILESCC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CNC5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C
InChIInChI=1S/C25H33NO5/c1-13-6-7-19-23(3,4)20(30-14(2)27)8-9-25(19)24(13,5)11-16-18(28)10-15-17(21(16)31-25)12-26-22(15)29/h10,13,19-20,28H,6-9,11-12H2,1-5H3,(H,26,29)/t13-,19-,20-,24+,25-/m0/s1
InChIKeyPYXJLZDIRGAZQG-RGXVLITJSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (12002997)
ChEBI Ontology
Outgoing Relation(s)
Acetylstachyflin (CHEBI:205544) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(1S,13R,14S,17S,19S)-10-hydroxy-13,14,18,18-tetramethyl-7-oxo-2-oxa-6-azapentacyclo[11.8.0.01,17.03,11.04,8]henicosa-3,8,10-trien-19-yl] acetate
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431758ChemSpider