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:
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