aklavinone

Chemical Formula:

C₂₂H₂₀O₈

Molecular Weight:

412.395 Daltons

Monoisotopic Mass:

412.11581761879995 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/C22H20O8/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/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1

InChIKey:

RACGRCLGVYXIAO-YOKWENHESA-N

Synonyms

methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Databases

MetaCyc: CPD-15720

PubChem (CID): 159776

MetaboLights: MTBLC31181

KEGG: C12424

ChEBI: 31181

Seed: cpd09176

MetaNetX: MNXM6156

3DMET: B04621