CHEBI:206068 - Pestaloporonin C

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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 Pestaloporonin C
ChEBI ID CHEBI:206068
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24O4
Net Charge 0
Average Mass 280.364
Monoisotopic Mass 280.16746
InChI InChI=1S/C16H24O4/c1-10(2)5-14-12(9-17)8-13(20-4)6-11(3)7-15(18)16(14)19/h6,8,13-15,17-18H,1,5,7,9H2,2-4H3/t13-,14-,15+/m1/s1
InChIKey DQOGXWZWFMMBQR-KFWWJZLASA-N
SMILES O=C1[C@@H](O)CC(=C[C@H](C=C([C@H]1CC(=C)C)CO)OC)C
Metabolite of Species Details
Pestalotiopsisspecies (NCBI:txid36460) See: PubMed
ChEBI Ontology
Outgoing Pestaloporonin C (CHEBI:206068) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2R,5R,9S)-9-hydroxy-3-(hydroxymethyl)-5-methoxy-7-methyl-2-(2-methylprop-2-enyl)cyclonona-3,6-dien-1-one