CHEBI:169882 - Pterosin F

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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 F
ChEBI ID CHEBI:169882
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H17ClO
Net Charge 0
Average Mass 236.740
Monoisotopic Mass 236.09679
InChI InChI=1S/C14H17ClO/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9H,4-5,7H2,1-3H3
InChIKey DFJCTWMNTSWCRI-UHFFFAOYSA-N
SMILES ClCCC1=C(C2=C(CC(C2=O)C)C=C1C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Pterosin F (CHEBI:169882) is a indanones (CHEBI:24789)
IUPAC Name
6-(2-chloroethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Manual Xrefs Databases
118944 ChemSpider
HMDB0036606 HMDB
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Registry Number Type Source
34175-98-9 CAS Registry Number ChemIDplus