CHEBI:219127 - (+)-cochlactone 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 (+)-cochlactone A
ChEBI ID CHEBI:219127
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H26O5
Net Charge 0
Average Mass 358.434
Monoisotopic Mass 358.17802
InChI InChI=1S/C21H26O5/c1-19(2)7-3-8-21-12-20(18(25)26-21,9-6-17(19)21)11-16(24)14-10-13(22)4-5-15(14)23/h4-5,10,17,22-23H,3,6-9,11-12H2,1-2H3/t17-,20+,21-/m0/s1
InChIKey FXMUSHRKJDUFQJ-WMQCIHAUSA-N
SMILES O=C1O[C@@]23[C@H](C(CCC2)(C)C)CC[C@]1(C3)CC(=O)C4=C(O)C=CC(=C4)O
Metabolite of Species Details
Ganoderma (NCBI:txid5314) See: PubMed
ChEBI Ontology
Outgoing (+)-cochlactone A (CHEBI:219127) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(1S,6S,9S)-9-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5,5-dimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-one
Manual Xref Database
78441840 ChemSpider
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