Macrofusine

Molecular Formula: C34H59NO15


InChI: InChI=1/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21+,22+,23+,24+,25-,26+,27-,32-/m1/s1/f/h39,41,45,47H

InChIKey: InChIKey=UVBUBMSSQKOIBE-DDUPHIFJDS
SMILES: CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O

Names:
    CCRIS 4433
    fumonisin b1
    HSDB 7077
    Macrofusine
    NSC 629151
    (2S)-2-[[(5S,6R,7R,9R,11S,16R,18S,19S)-19-amino-7-[(3S)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethyl-icosan-6-yl]oxycarbonylmethyl]butanedioic acid
    1,2,3-Propanetricarboxylic acid, 1,1'-(1-(12-amino-4,9,11-trihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl)ester
    1,2,3-Propanetricarboxylic acid, 1,1'-(1-(12-amino-4,9,11-trihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl) ester
    116355-83-0

Registries:
    PubChem CID 62314
    PubChem ID 199751