CHEBI:226174 - (1S,9R,12S)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione

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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 (1S,9R,12S)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione
ChEBI ID CHEBI:226174
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O4
Net Charge 0
Average Mass 272.300
Monoisotopic Mass 272.10486
InChI InChI=1S/C16H16O4/c1-15-4-3-5-16(2)13(15)11(20-14(16)18)6-9-8-19-12(17)7-10(9)15/h3-4,6-7,11,13H,5,8H2,1-2H3/t11-,13?,15-,16+/m1/s1
InChIKey MBIOLILLUPAUBU-BPZRQAJTSA-N
SMILES O=C1OCC2=C[C@H]3OC([C@@]4(C3[C@@](C2=C1)(C=CC4)C)C)=O
Metabolite of Species Details
Clarireedia homoeocarpa (NCBI:txid1436886) See: PubMed
ChEBI Ontology
Outgoing (1S,9R,12S)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione (CHEBI:226174) is a organic heterotricyclic compound (CHEBI:26979)
(1S,9R,12S)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione (CHEBI:226174) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,9R,12S)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,7,14-triene-4,11-dione
Manual Xref Database
24664190 ChemSpider
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