CHEBI:215159 - Ganocasuarinone 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 Ganocasuarinone A
ChEBI ID CHEBI:215159
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32O5
Net Charge 0
Average Mass 400.515
Monoisotopic Mass 400.22497
InChI InChI=1S/C24H32O5/c1-12(25)13-9-18(28)23(6)22(13,5)17(27)10-15-21(4)8-7-16(26)20(2,3)14(21)11-19-24(15,23)29-19/h10,13-14,18-19,28H,7-9,11H2,1-6H3/t13-,14+,18+,19-,21+,22+,23-,24+/m1/s1
InChIKey AGSYOZCRYSLYLA-KEYGPGBISA-N
SMILES O=C1C=C2[C@@]3([C@H](C(C(=O)CC3)(C)C)C[C@@H]4[C@]2(O4)[C@]5([C@]1([C@@H](C(=O)C)C[C@@H]5O)C)C)C
Metabolite of Species Details
Ganoderma casuarinicola (NCBI:txid2057914) See: PubMed
ChEBI Ontology
Outgoing Ganocasuarinone A (CHEBI:215159) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1R,3R,5R,10S,14R,15S,17S,18S)-15-acetyl-17-hydroxy-6,6,10,14,18-pentamethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,13-dione