Piperochromanoic acid (CHEBI:175587)

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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

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