aklaviketone

Chemical Formula:

C₂₂H₁₈O₈

Molecular Weight:

410.379 Daltons

Monoisotopic Mass:

410.1001675546 Daltons

SMILES:

CCC1(O)(CC(=O)C2(=C(C(C(OC)=O)1)C=C3(C(=C(O)2)C(=O)C4(=C(C(=O)3)C=CC=C(O)4))))

InChI:

1S/C22H18O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,17,23,27,29H,3,8H2,1-2H3/t17-,22+/m0/s1

InChIKey:

MHAXMIHGEZOCTQ-HTAPYJJXSA-N

Synonyms

methyl (1R,2R)-2-ethyl-2,5,7-trihydroxy-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Databases

MetaCyc: CPD-15721

KEGG: C12423

PubChem (CID): 443827

MetaboLights: MTBLC75244

ChEBI: 75244

Seed: cpd09175

MetaNetX: MNXM7037

3DMET: B04620