12-demethyl-elloramycin

Chemical Formula:

C₃₁H₃₄O₁₅

Molecular Weight:

646.601 Daltons

Monoisotopic Mass:

646.1897704229 Daltons

SMILES:

CC1(=C(C(=O)OC)C(=CC2(=CC3(=C(C(=C12)O)C(C4(C(=O)C=C(C(C(C3=O)4O)O)OC)O)=O)))OC5(C(OC)C(C(C(C)O5)OC)OC))

InChI:

1S/C31H34O15/c1-11-18-13(9-15(19(11)28(37)44-7)46-29-24(43-6)23(42-5)22(41-4)12(2)45-29)8-14-20(21(18)33)27(36)30(38)17(32)10-16(40-3)26(35)31(30,39)25(14)34/h8-10,12,22-24,26,29,33,35,38-39H,1-7H3/t12-,22-,23+,24+,26+,29-,30+,31+/m0/s1

InChIKey:

GDMKCWSZMAFALT-WNSZSYCKSA-N

Synonyms

8-demethyl-8-(2,3,4-O-trimethyl-α-L-rhamnosyl)-tetracenomycin C

Databases

MetaCyc: CPD-16638

KEGG: C20977

ChEBI: 78287

PubChem (CID): 86289508

MetaNetX: MNXM146114