CHEBI:174592 - Piperochromenoic acid

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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 Piperochromenoic acid
ChEBI ID CHEBI:174592
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28O3
Net Charge 0
Average Mass 340.463
Monoisotopic Mass 340.20384
InChI InChI=1S/C22H28O3/c1-16(2)7-5-8-17(3)9-6-13-22(4)14-12-18-15-19(21(23)24)10-11-20(18)25-22/h7,9-12,14-15H,5-6,8,13H2,1-4H3,(H,23,24)/b17-9+
InChIKey MSDAWPKHHPLFBC-RQZCQDPDSA-N
SMILES O1C(CC/C=C(/CCC=C(C)C)\C)(C=CC2=C1C=CC(=C2)C(O)=O)C
ChEBI Ontology
Outgoing Piperochromenoic acid (CHEBI:174592) is a monoterpenoid (CHEBI:25409)
IUPAC Name
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methylchromene-6-carboxylic acid
Manual Xrefs Databases
35014987 ChemSpider
HMDB0040635 HMDB
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