CHEBI:204530 - Phomactin D

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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 Phomactin D
ChEBI ID CHEBI:204530
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-13-6-5-10-20(4)18(23-20)17(22)15-8-7-14(2)19(3,11-9-13)16(15)12-21/h6,12,14-16,18H,5,7-11H2,1-4H3/b13-6+/t14-,15-,16+,18-,19+,20-/m1/s1
InChIKey VEIJXOFPJWWIIJ-DCXFOUBQSA-N
SMILES O=C1[C@H]2[C@H](C=O)[C@]([C@H](C)CC2)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C
Metabolite of Species Details
Phomaspecies (NCBI:txid1707701) See: DOI
ChEBI Ontology
Outgoing Phomactin D (CHEBI:204530) is a ketone (CHEBI:17087)
IUPAC Name
(1R,3S,5R,8E,12S,13R,16S)-5,9,12,13-tetramethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadec-8-ene-16-carbaldehyde
Manual Xref Database
8194372 ChemSpider
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