tetracenomycin B3

Chemical Formula:

C₂₁H₁₃O₈

Molecular Weight:

393.329 Daltons

Monoisotopic Mass:

394.0688674262 Daltons

SMILES:

CC1(=C(C(=O)[O-])C(=CC2(=CC3(=C(C(O)=C12)C(C4(=C(O)C=C(C=C(C3=O)4)OC))=O)))O)

InChI:

1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)/p-1

InChIKey:

NSKLWYCTXNPUBB-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: CPD-16644

RefMet: Tetracenomycin B3

PubChem (CID): 90657458 195205

Seed: cpd09122

ChEBI: 32200

MetaNetX: MNXM3364

KEGG: C12369