CHEBI:213458 - Paeciloxocin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Paeciloxocin B
ChEBI ID CHEBI:213458
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O7
Net Charge 0
Average Mass 414.454
Monoisotopic Mass 414.16785
InChI InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-17-22(21(16)27-5)30-20-15(11-28-23(17)26)9-13(3)10-18(20)25/h6-7,9-10,12,19,25H,8,11H2,1-5H3/t19-/m0/s1
InChIKey ZWMPRHFPFSCMAO-IBGZPJMESA-N
SMILES O=C1OCC2=C(C(O)=CC(=C2)C)OC3=C1C=CC(=C3OC)[C@@H](OC(=O)C)CC(C)C
Metabolite of Species Details
Paecilomycesspecies (NCBI:txid40383) See: DOI
ChEBI Ontology
Outgoing Paeciloxocin B (CHEBI:213458) is a aromatic ether (CHEBI:35618)
IUPAC Name
[1-(4-hydroxy-6-methoxy-2-methyl-10-oxo-12H-benzo[b][1,5]benzodioxocin-7-yl)-3-methylbutyl] acetate
Manual Xref Database
27026151 ChemSpider
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