3-α-mycarosylerythronolide B

Chemical Formula:

C₂₈H₅₀O₁₀

Molecular Weight:

546.697 Daltons

Monoisotopic Mass:

546.340397826 Daltons

SMILES:

CCC1(C(C)C(O)C(C)C(=O)C(C)CC(O)(C)C(C(C(C(C(O1)=O)C)OC2(OC(C(O)C(C)(O)C2)C))C)O)

InChI:

1S/C28H50O10/c1-10-19-14(3)22(30)15(4)21(29)13(2)11-27(8,34)24(31)16(5)23(17(6)26(33)37-19)38-20-12-28(9,35)25(32)18(7)36-20/h13-20,22-25,30-32,34-35H,10-12H2,1-9H3/t13-,14+,15+,16+,17-,18+,19-,20+,22+,23+,24-,25+,27-,28-/m1/s1

InChIKey:

WWWXDCNRNMZGEN-UPOWUTDQSA-N

Synonyms

α-L-mycarosyl erythronolide B

Databases

MetaCyc: CPD-13837

KEGG: C06630

PubChem (CID): 441108

MetaboLights: MTBLC28343

ChEBI: 28343

RefMet: 3-O-alpha-Mycarosylerythronolide B

Seed: cpd04034

MetaNetX: MNXM3487