methyl aklanonate

Chemical Formula:

C₂₂H₁₈O₈

Molecular Weight:

410.379 Daltons

Monoisotopic Mass:

410.1001675546 Daltons

SMILES:

CCC(=O)CC(=O)C1(=C(CC(OC)=O)C=C2(C(=C(O)1)C(=O)C3(=C(C(=O)2)C=CC=C(O)3)))

InChI:

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

InChIKey:

IDEZUESUWKFILV-UHFFFAOYSA-N

Synonyms

Databases

MetaCyc: CPD-15729

KEGG: C12422

PubChem (CID): 53297359

ChEBI: 75311

RefMet: Methyl aklanonate

Seed: cpd09174

MetaNetX: MNXM7036

3DMET: B04619