CHEBI:189165 - Cladoacetal B

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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 Cladoacetal B
ChEBI ID CHEBI:189165
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H12O3
Net Charge 0
Average Mass 204.225
Monoisotopic Mass 204.07864
InChI InChI=1S/C12H12O3/c1-7-10-6-5-8-3-2-4-9(13)11(8)12(14-7)15-10/h2-7,10,12-13H,1H3/t7-,10-,12+/m0/s1
InChIKey MQNPAODYALMZAI-VIRWGQHYSA-N
SMILES O1[C@@]2([C@@H](O[C@]1(C3=C(C=C2)C=CC=C3O)[H])C)[H]
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Cladoacetal B (CHEBI:189165) is a phenols (CHEBI:33853)
IUPAC Name
(1R,10S,11S)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol
Manual Xref Database
9227887 ChemSpider
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