CHEBI:175587 - Piperochromanoic 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 Piperochromanoic acid
ChEBI ID CHEBI:175587
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28O4
Net Charge 0
Average Mass 356.462
Monoisotopic Mass 356.19876
InChI InChI=1S/C22H28O4/c1-14(2)7-5-8-15(3)9-6-10-20-16(4)11-17-12-18(22(24)25)13-19(23)21(17)26-20/h7,9,12-13,20,23H,4-6,8,10-11H2,1-3H3,(H,24,25)/b15-9-
InChIKey XBOKPWYVDNVFMX-DHDCSXOGSA-N
SMILES O1C(CC/C=C(\CCC=C(C)C)/C)C(CC2=C1C(O)=CC(=C2)C(O)=O)=C
ChEBI Ontology
Outgoing Piperochromanoic acid (CHEBI:175587) is a monoterpenoid (CHEBI:25409)
IUPAC Name
2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-8-hydroxy-3-methylidene-4H-chromene-6-carboxylic acid
Manual Xrefs Databases
35014986 ChemSpider
HMDB0040634 HMDB
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