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M  END
> <ID>
CHEBI:3454

> <NAME>
cassaine

> <DEFINITION>
A tricyclic diterpenoid isolated from several plant species of the genus Erythrophleum.

> <STAR>
3

> <SYNONYM>
nervocidine; cassaine; (+)-cassaine

> <IUPAC_NAME>
2-(dimethylamino)ethyl (2E)-[(13E)-3beta-hydroxy-14alpha-methyl-7-oxopodocarpan-13-ylidene]acetate

> <FORMULA>
C24H39NO4

> <MASS>
405.579

> <MONOISOTOPIC_MASS>
405.28791

> <CHARGE>
0

> <SMILES>
[C@]12([C@](C([C@@H](O)CC1)(C)C)(CC(=O)[C@@]3([C@@]2(CC\C(\[C@@H]3C)=C/C(OCCN(C)C)=O)[H])[H])[H])C

> <INCHI>
InChI=1S/C24H39NO4/c1-15-16(13-21(28)29-12-11-25(5)6)7-8-17-22(15)18(26)14-19-23(2,3)20(27)9-10-24(17,19)4/h13,15,17,19-20,22,27H,7-12,14H2,1-6H3/b16-13+/t15-,17-,19-,20-,22-,24+/m0/s1

> <INCHIKEY>
GMHWATCMBXIANN-IOJUAHGHSA-N

> <CAS_REGISTRY_NUMBER>
468-76-8

> <CHEMIDPLUS>
468-76-8

> <KEGG_COMPOUND_ACCESSION>
C08670

> <KNAPSACK_ACCESSION>
C00001626

> <WIKIPEDIA_ACCESSION>
Cassaine

> <PUBMED_CITATION>
125204; 130244; 18817389; 212685; 24295200; 25057897; 2735954; 2990948; 5135168; 5697074; 6046785

$$$$