8-demethyltetracenomycin C

Chemical Formula:

C₂₂H₁₈O₁₁

Molecular Weight:

458.378 Daltons

Monoisotopic Mass:

458.08491142089997 Daltons

SMILES:

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

InChI:

1S/C22H18O11/c1-7-13-8(5-10(23)14(7)20(29)33-3)4-9-15(16(13)25)19(28)21(30)12(24)6-11(32-2)18(27)22(21,31)17(9)26/h4-6,18,23,25,27,30-31H,1-3H3/t18-,21-,22-/m1/s1

InChIKey:

DFURSAVCHZIKSU-STZQEDGTSA-N

Databases

MetaCyc: CPD-16642

ChEBI: 31144

KEGG: C12379

PubChem (CID): 49787019

Seed: cpd09132

MetaNetX: MNXM8217