10-deoxymethynolide

Chemical Formula:

C₁₇H₂₈O₄

Molecular Weight:

296.406 Daltons

Monoisotopic Mass:

296.1987593872 Daltons

SMILES:

CCC1(C(C)C=CC(C(C)CC(C)C(C(C(=O)O1)C)O)=O)

InChI:

1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1

InChIKey:

NZUJVBSYQXETNF-PQWITYJESA-N

Databases

MetaCyc: CPD-13831

RefMet: 10-Deoxymethynolide

DRUGBANK: DB07703

KEGG: C11993

MetaboLights: MTBLC29461

ChEBI: 29461

PubChem (CID): 5282031

Seed: cpd08790

MetaNetX: MNXM3783