Mrv0541 04141513172D          

 21 23  0  0  0  0            999 V2000
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    1.1821   -7.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4693   -7.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880   -6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8980   -6.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8996   -7.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   -7.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3308   -7.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090   -6.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3259   -6.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0367   -6.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0407   -5.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283   -5.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6074   -5.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601   -5.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4728   -5.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7623   -4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3311   -4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1903   -5.4318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  8  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
  2  1  1  0  0  0  0
  6 21  2  0  0  0  0
M  END
> <ID>
CHEBI:70570

> <NAME>
12-hydroxy-1-oxo-20-norabieta-5(10),6,8,11,13-pentaene

> <DEFINITION>
A tricyclic diterpenoid isolated from the stem bark of  Fraxinus sieboldiana.

> <STAR>
3

> <IUPAC_NAME>
6-hydroxy-1,1-dimethyl-7-(propan-2-yl)-2,3-dihydrophenanthren-4(1H)-one

> <FORMULA>
C19H22O2

> <MASS>
282.37680

> <MONOISOTOPIC_MASS>
282.16198

> <CHARGE>
0

> <SMILES>
CC(C)c1cc2ccc3c(C(=O)CCC3(C)C)c2cc1O

> <INCHI>
InChI=1S/C19H22O2/c1-11(2)13-9-12-5-6-15-18(14(12)10-17(13)21)16(20)7-8-19(15,3)4/h5-6,9-11,21H,7-8H2,1-4H3

> <INCHIKEY>
AFWOWWKSKVECMQ-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
21097451

> <PUBMED_CITATION>
20961093

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