CHEBI:198800 - Guignardone L

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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 Guignardone L
ChEBI ID CHEBI:198800
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28O5
Net Charge 0
Average Mass 360.450
Monoisotopic Mass 360.19367
InChI InChI=1S/C21H28O5/c1-12(6-5-7-13(2)22)14-8-9-21(3)16(14)10-15-19(24)18(25-4)11-17(23)20(15)26-21/h5-7,14,16-18,23H,8-11H2,1-4H3/b7-5+,12-6?/t14-,16-,17-,18-,21+/m0/s1
InChIKey JDVMHRYIBAJAJK-OACIXNKWSA-N
SMILES O=C1C2=C(O[C@@]3(CC[C@H]([C@@H]3C2)C(=C/C=C/C(=O)C)C)C)[C@@H](O)C[C@@H]1OC
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Guignardone L (CHEBI:198800) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1R,3aR,5S,7S,9aS)-5-hydroxy-7-methoxy-3a-methyl-1-[(4E)-6-oxohepta-2,4-dien-2-yl]-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
Manual Xref Database
78436406 ChemSpider
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