Paratocarpin F (CHEBI:166602)

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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	Paratocarpin F

ChEBI ID	CHEBI:166602

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C25H26O5

Net Charge

Average Mass

406.478

Monoisotopic Mass

406.17802

InChI

InChI=1S/C25H26O5/c1-24(2)12-11-16-13-15(6-9-20(16)30-24)5-8-19(26)17-7-10-21-18(23(17)27)14-22(29-21)25(3,4)28/h5-13,22,27-28H,14H2,1-4H3/b8-5+

InChIKey

LCVFSTYKCUWPRP-VMPITWQZSA-N

SMILES

O1C(C(O)(C)C)CC2=C1C=CC(=C2O)C(=O)/C=C/C3=CC4=C(OC(C=C4)(C)C)C=C3

ChEBI Ontology
Outgoing	Paratocarpin F (CHEBI:166602) is a chalcones (CHEBI:23086)

IUPAC Name

(E)-3-(2,2-dimethylchromen-6-yl)-1-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]prop-2-en-1-one