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CHEBI:220500 - Xylastriasan A

ChEBI IDCHEBI:220500
ChEBI NameXylastriasan A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO4
Net Charge0
Average Mass449.591
Monoisotopic Mass449.25661
SMILESCC1=C[C@H]2[C@H]3[C@@H](CC(=O)[C@@]24C(=O)N[C@H](Cc2ccccc2)[C@H]4[C@H]1C)[C@@H]1C[C@H](CO)C[C@@]3(C)O1
InChIInChI=1S/C28H35NO4/c1-15-9-20-25-19(22-11-18(14-30)13-27(25,3)33-22)12-23(31)28(20)24(16(15)2)21(29-26(28)32)10-17-7-5-4-6-8-17/h4-9,16,18-22,24-25,30H,10-14H2,1-3H3,(H,29,32)/t16-,18-,19-,20-,21+,22-,24+,25+,27+,28-/m0/s1
InChIKeyKHBULQQPPABKJS-ZJDVQHLNSA-N
Species of MetaboliteComponentSourceComments
Xylaria striata (ncbitaxon:743301) - PubMed (28486854)
ChEBI Ontology
Outgoing Relation(s)
Xylastriasan A (CHEBI:220500) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2S,3S,6R,7S,8R,11R,14R,15S,17S)-8-benzyl-17-(hydroxymethyl)-1,5,6-trimethyl-19-oxa-9-azapentacyclo[13.3.1.02,14.03,11.07,11]nonadec-4-ene-10,12-dione
Manual XrefsDatabases
78441862ChemSpider