CHEBI:222807 - Sch 47918

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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 Sch 47918
ChEBI ID CHEBI:222807
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/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/h6,8,12,14,16,18H,5,7,9-11H2,1-4H3/b13-6+
InChIKey QQJPKWMYESOJFA-AWNIVKPZSA-N
SMILES O=C1C2=CCC(C)C(C2C=O)(CCC(C)=CCCC3(C1O3)C)C
Metabolite of Species Details
Phomaspecies (NCBI:txid1707701) See: DOI
ChEBI Ontology
Outgoing Sch 47918 (CHEBI:222807) is a ketone (CHEBI:17087)
IUPAC Name
(8E)-5,9,12,13-tetramethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-diene-16-carbaldehyde
Manual Xref Database
78444575 ChemSpider
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