rot-2'-enonate

Chemical Formula:

C₂₃H₂₃O₆

Molecular Weight:

395.431 Daltons

Monoisotopic Mass:

396.15728850299996 Daltons

SMILES:

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

InChI:

1S/C23H24O6/c1-12(2)5-6-13-16(24)8-7-14-22(25)21-15-9-18(26-3)19(27-4)10-17(15)28-11-20(21)29-23(13)14/h5,7-10,20-21,24H,6,11H2,1-4H3/p-1/t20-,21+/m1/s1

InChIKey:

GBVCHRDRVDOMQV-RTWAWAEBSA-M

Synonyms

rot-2'-enonic acid

Databases

MetaCyc: CPD-9534

PubChem (CID): 25201136

Seed: cpd25723

ChEBI: 92599

MetaNetX: MNXM6424