CHEBI:192053 - Pterosin 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 Pterosin E
ChEBI ID CHEBI:192053
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H16O3
Net Charge 0
Average Mass 232.279
Monoisotopic Mass 232.10994
InChI InChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16)/t8-/m1/s1
InChIKey UYEZJDNVWNIIKS-MRVPVSSYSA-N
SMILES O=C1[C@@H](CC2=C1C(=C(C(=C2)C)CC(O)=O)C)C
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing Pterosin E (CHEBI:192053) is a indanones (CHEBI:24789)
IUPAC Name
2-[(2R)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]acetic acid
Manual Xref Database
130981 ChemSpider
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Registry Number Type Source
52528-78-6 CAS Registry Number ChemIDplus