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CHEBI:199647 - Paeciloxazine

ChEBI IDCHEBI:199647
ChEBI NamePaeciloxazine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N2O7
Net Charge0
Average Mass526.630
Monoisotopic Mass526.26790
SMILESCC(=O)OC1C(C)=CC2C(C(C)CCC2C2(C)CO2)C1OC(=O)C1CC2(O)c3ccccc3N(C)OC2N1
InChIInChI=1S/C29H38N2O7/c1-15-10-11-19(28(4)14-35-28)18-12-16(2)24(36-17(3)32)25(23(15)18)37-26(33)21-13-29(34)20-8-6-7-9-22(20)31(5)38-27(29)30-21/h6-9,12,15,18-19,21,23-25,27,30,34H,10-11,13-14H2,1-5H3
InChIKeyRMGVCOCXWDORPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (15032482)
ChEBI Ontology
Outgoing Relation(s)
Paeciloxazine (CHEBI:199647) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[2-acetyloxy-3,8-dimethyl-5-(2-methyloxiran-2-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl] 9b-hydroxy-5-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-c][2,1]benzoxazine-2-carboxylate
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8545052ChemSpider