(3R)-vestitone

Chemical Formula:

C₁₆H₁₄O₅

Molecular Weight:

286.284 Daltons

Monoisotopic Mass:

286.0841235599 Daltons

SMILES:

C3(OC1(=C(C=CC(O)=C1)C(=O)C(C2(=C(C=C(OC)C=C2)O))3))

InChI:

1S/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/t13-/m0/s1

InChIKey:

WQCJOKYOIJVEFN-ZDUSSCGKSA-N

Synonyms

Databases

MetaCyc: VESTITONE

RefMet: Vestitone

MetaboLights: MTBLC16786

HMDB: HMDB31620

LIPID MAPS: LMPK12050462

ChemSpider: 388441

PubChem (CID): 439310

ChEBI: 16786

KEGG: C00786

CAS: 66211-83-4

Seed: cpd00582

MetaNetX: MNXM1506