CHEBI:212762 - Rel-(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene

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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 Rel-(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene
ChEBI ID CHEBI:212762
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O5
Net Charge 0
Average Mass 356.418
Monoisotopic Mass 356.16237
InChI InChI=1S/C21H24O5/c1-11-5-14-12(17(24)25-11)6-15-20(10-22)9-19(20,4)16(23)13-7-18(2,3)8-21(13,15)26-14/h5-6,10,13,16,23H,7-9H2,1-4H3/t13-,16-,19-,20-,21+/m0/s1
InChIKey LLXYNKFISKUOJH-VRTSWNMPSA-N
SMILES O=C1OC(=CC2=C1C=C3[C@]4(C=O)[C@@](C)(C4)[C@H]([C@H]5[C@]3(O2)CC(C)(C)C5)O)C
Metabolite of Species Details
Phlebia tremellosa (NCBI:txid98777) See: DOI
ChEBI Ontology
Outgoing Rel-(5aR,6S,7S,8R,9R)-9-formyl-7-hydroxy-3,8-dimethyl-1-oxo-5a,6-(2,2-dimethyl-propano)-8,9-methano-5a,6,7,8,9-pentahydro-2,5-dioxaanthracene (CHEBI:212762) is a oxacycle (CHEBI:38104)
IUPAC Name
(1R,11R,13R,14S,15S)-14-hydroxy-5,13,17,17-tetramethyl-7-oxo-2,6-dioxapentacyclo[8.8.0.01,15.03,8.011,13]octadeca-3(8),4,9-triene-11-carbaldehyde
Manual Xref Database
9156357 ChemSpider
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