CHEBI:197903 - (-)-applanatumol L

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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 L
ChEBI ID CHEBI:197903
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H20O7
Net Charge 0
Average Mass 336.340
Monoisotopic Mass 336.12090
InChI InChI=1S/C17H20O7/c1-9-12(19)5-6-17(15(9)22,16(23)24-2)8-14(21)11-7-10(18)3-4-13(11)20/h3-4,7,12,15,18-20,22H,1,5-6,8H2,2H3/t12-,15-,17-/m1/s1
InChIKey KZQCCTIIHZYRNR-SRCQZFHVSA-N
SMILES O=C(OC)[C@@]1([C@H](O)C(=C)[C@H](O)CC1)CC(=O)C2=C(O)C=CC(=C2)O
Metabolite of Species Details
Ganoderma applanatum (NCBI:txid29884) See: DOI
ChEBI Ontology
Outgoing (-)-applanatumol L (CHEBI:197903) is a aromatic ketone (CHEBI:76224)
IUPAC Name
methyl (1R,2R,4R)-1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-2,4-dihydroxy-3-methylidenecyclohexane-1-carboxylate
Manual Xref Database
78440697 ChemSpider
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