Structure Information
Structure

Compound Identification

SMILES

CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O.CN(CCCNCC1=CC2=C(OCO2)C=C1)C1=NC(=NC(C)=C1)N1C=CN=C1

InChIKey

InChIKey=BQZURMSMCYRFNI-RMWNCEGRSA-N

Formula

C42H56N6O6

Mass

740.946

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Entity with smiles CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O.CN(CCCNCC1=CC2=C(OCO2)C=C1)C1=NC(=NC(C)=C1)N1C=CN=C1 has not been classified yet.

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