validone

Chemical Formula:

C₇H₁₂O₅

Molecular Weight:

176.169 Daltons

Monoisotopic Mass:

176.0684734957 Daltons

SMILES:

C(O)C1(C(O)C(O)C(O)C(=O)C1)

InChI:

1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h3,5-8,10-12H,1-2H2/t3-,5-,6+,7+/m1/s1

InChIKey:

ACVTTWBZLGNMCH-UMWONPOSSA-N

Synonyms

(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one

Databases

MetaCyc: CPD-9666

KEGG: C21371

ChEBI: 111542

PubChem (CID): 25202914

Seed: cpd25780

MetaNetX: MNXM13248