CHEBI:181183 - (1R,2R,3R,4E,7S,9R,14R,16R)-2-Hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione

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ChEBI Name (1R,2R,3R,4E,7S,9R,14R,16R)-2-Hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione
ChEBI ID CHEBI:181183
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22O6
Net Charge 0
Average Mass 346.379
Monoisotopic Mass 346.14164
InChI InChI=1S/C19H22O6/c1-8-6-9(2)14(21)13-17-19(25-18(13)23)7-10(3)16(24-17)15(22)11(19)4-5-12(8)20/h4-5,8-11,15-16,22H,6-7H2,1-3H3/b5-4+/t8-,9+,10+,11+,15+,16+,19+/m0/s1
InChIKey FNEADFUPWHAVTA-OPXAPYACSA-N
SMILES O1[C@@]2([C@@H](C[C@]34OC(=O)C(=C13)C(=O)[C@@H](C[C@@H](C(=O)C=C[C@@]4([C@H]2O)[H])C)C)C)[H]
ChEBI Ontology
Outgoing (1R,2R,3R,4E,7S,9R,14R,16R)-2-Hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione (CHEBI:181183) is a oxanes (CHEBI:46942)
IUPAC Name
(1R,2R,3R,4E,7S,9R,14R,16R)-2-hydroxy-7,9,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadeca-4,11(18)-diene-6,10,12-trione
Manual Xref Database
29213690 ChemSpider
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