CDK    9/10/12,15:49

 29 33  0  0  0  0  0  0  0  0999 V2000
   -3.7104  -22.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7104  -23.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980  -23.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980  -22.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2855  -22.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890  -23.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799  -23.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8627  -23.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5729  -22.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631  -22.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480  -22.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364  -21.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8462  -20.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5676  -21.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754  -21.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1543  -22.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737  -21.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2929  -21.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2970  -24.2177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9971  -24.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7188  -24.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8630  -21.7414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1501  -23.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5587  -23.4048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629  -22.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5846  -24.6353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754  -20.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0115  -21.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801  -22.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  2  3  1  0  0  0  0 
 12 15  1  0  0  0  0 
  5  9  1  0  0  0  0 
 10 16  1  1  0  0  0 
 15 16  1  0  0  0  0 
  6  7  1  0  0  0  0 
 15 17  2  0  0  0  0 
  7  8  1  0  0  0  0 
  5 18  1  0  0  0  0 
  8 10  1  0  0  0  0 
  6 19  1  1  0  0  0 
  9 10  1  0  0  0  0 
  3 20  1  0  0  0  0 
  3  6  1  0  0  0  0 
  3 21  1  0  0  0  0 
  5  4  1  1  0  0  0 
  9 22  1  1  0  0  0 
  5  6  1  0  0  0  0 
  8 23  1  0  0  0  0 
 16 24  1  1  0  0  0 
  1  2  1  0  0  0  0 
 11 25  1  1  0  0  0 
  1  4  1  0  0  0  0 
  7 26  1  1  0  0  0 
  9 14  1  0  0  0  0 
 12 27  1  1  0  0  0 
 10 11  1  0  0  0  0 
 18 28  2  0  0  0  0 
 12 11  1  0  0  0  0 
  8 29  1  6  0  0  0 
 29 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:67679

> <NAME>
Rabdoternin A

> <DEFINITION>
A natural product found in Isodon adenolomus. 

> <STAR>
2

> <SYNONYM>
ent-Kaur-16-en-20-oic acid, 6,7,7,14,15-pentahydroxy-, 20,7-lactone, (6beta,7alpha,14R,15beta)-

> <FORMULA>
C20H28O6

> <MASS>
364.43270

> <MONOISOTOPIC_MASS>
364.18859

> <CHARGE>
0

> <SMILES>
[H][C@@]12CC[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(OC5=O)[C@@]3([C@H](O)C1=C)[C@@H]2O

> <INCHI>
InChI=1S/C20H28O6/c1-9-10-5-6-11-18-8-4-7-17(2,3)12(18)15(23)20(25,26-16(18)24)19(11,13(9)21)14(10)22/h10-15,21-23,25H,1,4-8H2,2-3H3/t10-,11+,12-,13-,14-,15+,18-,19+,20-/m1/s1

> <INCHIKEY>
DWBNAAUVBIEEOE-PGBLAOAPSA-N

> <CAS_REGISTRY_NUMBER>
128887-80-9

> <CHEMIDPLUS>
128887-80-9

> <PUBMED_CITATION>
21534539

$$$$