CHEBI:223603 - Daldispone A

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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 Daldispone A
ChEBI ID CHEBI:223603
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H30O4
Net Charge 0
Average Mass 298.423
Monoisotopic Mass 298.21441
InChI InChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-10-11-17(20)14(13-18)15(19)12-16(17)21-2/h12,14,18,20H,3-11,13H2,1-2H3/t14-,17-/m0/s1
InChIKey ACKFGOVZOOTGSD-YOEHRIQHSA-N
SMILES O=C1C=C(OC)[C@]([C@H]1CO)(O)CCCCCCCCCC
Metabolite of Species Details
Daldinia (NCBI:txid42360) See: PubMed
ChEBI Ontology
Outgoing Daldispone A (CHEBI:223603) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(4S,5R)-4-decyl-4-hydroxy-5-(hydroxymethyl)-3-methoxycyclopent-2-en-1-one