Marvin  08211309552D          

 23 25  0  0  0  0            999 V2000
    5.3296   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3296   -1.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0416   -1.8251    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0416   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7537   -0.5917    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7502   -1.4168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4590   -1.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1759   -1.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4660   -0.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1751   -0.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8893   -0.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8957    0.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1820    1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4706    0.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4463   -2.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7463    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9462   -1.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4504   -2.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0287   -3.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7580    1.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6006   -0.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5942   -1.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3183   -0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  1  4  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3 15  1  1  0  0  0
  5  9  1  0  0  0  0
  5 16  1  1  0  0  0
  6  7  1  0  0  0  0
  6 17  1  6  0  0  0
  7  8  1  0  0  0  0
  3 18  1  0  0  0  0
  8 10  1  0  0  0  0
 15 19  2  0  0  0  0
  3  6  1  0  0  0  0
 14 20  1  0  0  0  0
  5  4  1  0  0  0  0
 11 21  1  0  0  0  0
  9 10  2  0  0  0  0
 21 22  1  0  0  0  0
  5  6  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <ID>
CHEBI:68291

> <NAME>
inumakal

> <DEFINITION>
An abietane diterpenoid that is podocarpa-8,11,13-triene substituted by a propan-2-yl group at position 14, a hydroxy group at position 11 and a formyl group at position 16. It is isolated from Podocarpus latifolius.

> <STAR>
3

> <IUPAC_NAME>
11-hydroxy-14-(propan-2-yl)podocarpa-8,11,13-trien-16-al

> <FORMULA>
C20H28O2

> <MASS>
300.43510

> <MONOISOTOPIC_MASS>
300.20893

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCc3c(ccc(O)c3[C@@]1(C)CCC[C@]2(C)C=O)C(C)C

> <INCHI>
InChI=1S/C20H28O2/c1-13(2)14-6-8-16(22)18-15(14)7-9-17-19(3,12-21)10-5-11-20(17,18)4/h6,8,12-13,17,22H,5,7,9-11H2,1-4H3/t17-,19+,20-/m0/s1

> <INCHIKEY>
RIRYTDSIVDSPCY-SXLOBPIMSA-N

> <REAXYS_REGISTRY_NUMBER>
21394581

> <PUBMED_CITATION>
21306129

$$$$