4'-hydroxy-rot-2'-enonate

Chemical Formula:

C₂₃H₂₃O₇

Molecular Weight:

411.43 Daltons

Monoisotopic Mass:

412.15220312509996 Daltons

SMILES:

CC(CO)=CCC1(C([O-])=CC=C4(C=1O[CH]3(COC2(C=C(C(=CC=2[CH]3C4=O)OC)OC))))

InChI:

1S/C23H24O7/c1-12(10-24)4-5-13-16(25)7-6-14-22(26)21-15-8-18(27-2)19(28-3)9-17(15)29-11-20(21)30-23(13)14/h4,6-9,20-21,24-25H,5,10-11H2,1-3H3/p-1/b12-4+/t20-,21+/m1/s1

InChIKey:

STQIAJVGXVCTSD-OIZWPPBTSA-M

Synonyms

4'-hydroxy-rot-2'-enonic acid

Databases

MetaCyc: CPD-9535

PubChem (CID): 25245900

Seed: cpd25724

MetaNetX: MNXM10137