CHEBI:227246 - (+)-applanatumol E

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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 (+)-applanatumol E
ChEBI ID CHEBI:227246
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O8
Net Charge 0
Average Mass 366.366
Monoisotopic Mass 366.13147
InChI InChI=1S/C18H22O8/c1-24-16(25-2)18-9-26-15(23)17(18,6-5-14(18)22)8-13(21)11-7-10(19)3-4-12(11)20/h3-4,7,14,16,19-20,22H,5-6,8-9H2,1-2H3/t14-,17+,18-/m1/s1
InChIKey VCCZNZDGMFCWPD-FHLIZLRMSA-N
SMILES O=C1OC[C@]2([C@@]1(CC[C@H]2O)CC(=O)C3=C(O)C=CC(=C3)O)C(OC)OC
Metabolite of Species Details
Ganoderma applanatum (NCBI:txid29884) See: DOI
ChEBI Ontology
Outgoing (+)-applanatumol E (CHEBI:227246) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(3aR,6R,6aS)-3a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-6a-(dimethoxymethyl)-6-hydroxy-1,4,5,6-tetrahydrocyclopenta[c]uran-3-one
Manual Xref Database
78441249 ChemSpider
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