Ketcher 06112414192D 1   1.00000     0.00000     0

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  7 22  1  1     0  0
M  END
> <ID>
CHEBI:231567

> <NAME>
cneorubyn Y

> <DEFINITION>
A diterpene that is produced by a multifunctional terpene synthase from Streptomyces xinghaiensis

> <STAR>
2

> <FORMULA>
C20H32

> <MASS>
272.476

> <MONOISOTOPIC_MASS>
272.25040

> <CHARGE>
0

> <SMILES>
CC(C)=CCC[C@@]1([C@@]2([H])CCC(C)=CCCC(C)=C[C@]21[H])C

> <INCHI>
InChI=1S/C20H32/c1-15(2)8-7-13-20(5)18-12-11-16(3)9-6-10-17(4)14-19(18)20/h8-9,14,18-19H,6-7,10-13H2,1-5H3/b16-9-,17-14-/t18-,19+,20+/m0/s1

> <INCHIKEY>
KYKXKNMWODEXOJ-GGAMFQQQSA-N

> <PUBMED_CITATION>
29125678

$$$$