Ketcher 08182113422D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:177893

> <NAME>
variculatriene A

> <DEFINITION>
A sesterterpene.

> <STAR>
2

> <FORMULA>
C25H40

> <MASS>
340.595

> <MONOISOTOPIC_MASS>
340.31300

> <CHARGE>
0

> <SMILES>
C1CC(=CC[C@@]2(C(CC=C(C3C1=C(CC3)C)C)C(CC2)C(C)C)C)C

> <INCHI>
InChI=1S/C25H40/c1-17(2)21-14-16-25(6)15-13-18(3)7-10-22-19(4)8-11-23(22)20(5)9-12-24(21)25/h9,13,17,21,23-24H,7-8,10-12,14-16H2,1-6H3/b18-13+,20-9+/t21?,23?,24?,25-/m0/s1

> <INCHIKEY>
XKIZMGBGGHNTGM-RAGUXQNVSA-N

> <PUBMED_CITATION>
34257153

$$$$