CHEBI:202031 - (+)-applanatumol V

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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 V
ChEBI ID CHEBI:202031
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O6
Net Charge 0
Average Mass 304.298
Monoisotopic Mass 304.09469
InChI InChI=1S/C16H16O6/c1-8(7-17)10-3-4-11(16(21)22)14(10)15(20)12-6-9(18)2-5-13(12)19/h2,5-7,10-11,14,18-19H,1,3-4H2,(H,21,22)/t10-,11-,14-/m1/s1
InChIKey PLGMDEYIMRPUAI-JTNHKYCSSA-N
SMILES O=C(O)[C@H]1[C@H](C(=O)C2=C(O)C=CC(=C2)O)[C@@H](C(C=O)=C)CC1
Metabolite of Species Details
Ganoderma applanatum (NCBI:txid29884) See: DOI
ChEBI Ontology
Outgoing (+)-applanatumol V (CHEBI:202031) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(1R,2R,3S)-2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylic acid
Manual Xref Database
78440878 ChemSpider
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