CHEBI:197593 - (5R,5aS,9R,9aR,9bR)-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate

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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 (5R,5aS,9R,9aR,9bR)-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate
ChEBI ID CHEBI:197593
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32O6
Net Charge 0
Average Mass 380.481
Monoisotopic Mass 380.21989
InChI InChI=1S/C21H32O6/c1-5-6-7-8-16(23)27-14-11-13-12-26-18(24)21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17,22,25H,5-10,12H2,1-4H3/t14-,15-,17+,20+,21+/m1/s1
InChIKey AKSMCYXVBDZJRK-QOGIMEQTSA-N
SMILES O=C1OCC=2[C@@]1(O)[C@@]3([C@H](C(CC[C@H]3O)(C)C)[C@@H](C2)OC(=O)CCCCC)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing (5R,5aS,9R,9aR,9bR)-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate (CHEBI:197593) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(5R,5aS,9R,9aR,9bR)-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] hexanoate
Manual Xref Database
34252061 ChemSpider
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