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M  END
> <ID>
CHEBI:5741

> <NAME>
Hodgkinsine

> <STAR>
2

> <SYNONYM>
Hodgkinsine

> <FORMULA>
C33H38N6

> <MASS>
518.696

> <MONOISOTOPIC_MASS>
518.31580

> <CHARGE>
0

> <SMILES>
CN1CC[C@]2([C@@H]1Nc1ccccc21)c1cccc2c1N[C@@H]1N(C)CC[C@]21[C@@]12CCN(C)[C@@H]1Nc1ccccc21

> <INCHI>
InChI=1S/C33H38N6/c1-37-18-15-31(21-9-4-6-13-25(21)34-28(31)37)23-11-8-12-24-27(23)36-30-33(24,17-20-39(30)3)32-16-19-38(2)29(32)35-26-14-7-5-10-22(26)32/h4-14,28-30,34-36H,15-20H2,1-3H3/t28-,29+,30-,31-,32-,33+/m1/s1

> <INCHIKEY>
DPVWJPVYOXKFRQ-BDMNMGLZSA-N

> <CAS_REGISTRY_NUMBER>
18210-71-4

> <KEGG_COMPOUND_ACCESSION>
C09211

> <KNAPSACK_ACCESSION>
C00001738

$$$$