Mycotrienine derivative

Molecular Formula: C44H52N2O12S


InChI: InChI=1/C44H52N2O12S/c1-22-12-10-8-9-11-13-34(51)46-37-41(55)30-19-27(6)40(54)36(35(30)42(56)43(37)59-21-31(44(57)58)45-28(7)47)39(53)26(5)18-25(4)38(52)24(3)15-17-29(48)16-14-23(2)33(50)20-32(22)49/h8-15,17-19,22,24-25,29,31-32,38,48-49,52,54H,16,20-21H2,1-7H3,(H,45,47)(H,46,51)(H,57,58)/b9-8-,12-10-,13-11+,17-15+,23-14-,26-18+/f/h45-46,57H

InChIKey: InChIKey=VEDOKYSBCNXSGP-HYAUDLMODH
SMILES: CC1C=CC=CC=CC(=O)NC2=C(C(=O)C3=C(C(=C(C=C3C2=O)C)O)C(=O)C(=CC(C(C(C=CC(CC=C(C(=O)CC1O)C)O)C)O)C)C)SCC(C(=O)O)NC(=O)C

Names:
    Mycotrienine derivative
    NSC381102

Registries:
    PubChem CID 5385079
    PubChem ID 8141618