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CHEBI:218102 - 1-epi-paeciloketal B

ChEBI IDCHEBI:218102
ChEBI Name1-epi-paeciloketal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O5
Net Charge0
Average Mass522.726
Monoisotopic Mass522.33452
SMILESCCCCCCCCC(=O)c1cccc2c1C[C@]1(O2)O[C@@](CCCCCCCC)(OC)c2cccc(O)c21
InChIInChI=1S/C33H46O5/c1-4-6-8-10-12-14-20-28(34)25-18-16-22-30-26(25)24-33(37-30)31-27(19-17-21-29(31)35)32(36-3,38-33)23-15-13-11-9-7-5-2/h16-19,21-22,35H,4-15,20,23-24H2,1-3H3/t32-,33+/m1/s1
InChIKeyYJXIKBMODFDOQS-SAIUNTKASA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (26562481)
ChEBI Ontology
Outgoing Relation(s)
1-epi-paeciloketal B (CHEBI:218102) is a butanone (CHEBI:22951)
IUPAC Name 
1-[(1R,3S)-4-hydroxy-1-methoxy-1-octylspiro[2-benzouran-3,2'-3H-1-benzouran]-4'-yl]nonan-1-one
Manual XrefsDatabases
44210826ChemSpider