CDK    7/27/12,16:43

 29 34  0  0  0  0  0  0  0  0999 V2000
    4.7823   -8.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7823   -8.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4954   -9.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085   -8.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4954   -7.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068   -8.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9224   -7.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -6.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4998   -6.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2196   -6.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2309   -5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7947   -6.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8024   -5.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5204   -5.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3561   -4.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5363   -4.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943   -4.9746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673   -9.2526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9240   -9.2519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237  -10.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0760   -7.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0315   -8.0122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4420   -7.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4472   -8.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4876   -8.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5339   -6.2189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1961   -6.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4954  -10.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7798  -10.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  3  1  0  0  0  0 
  5  9  1  0  0  0  0 
  6  7  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 13  1  0  0  0  0 
  7  8  1  0  0  0  0 
  2 18  2  0  0  0  0 
  8 10  1  0  0  0  0 
  4 19  1  1  0  0  0 
  3  4  1  0  0  0  0 
 19 20  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5 21  1  6  0  0  0 
  9 10  1  0  0  0  0 
  6 22  1  6  0  0  0 
  5  6  1  0  0  0  0 
 22 23  1  0  0  0  0 
 10 11  2  0  0  0  0 
 22 24  1  0  0  0  0 
 21 23  1  0  0  0  0 
 11 14  1  0  0  0  0 
  4 25  1  0  0  0  0 
  8 25  1  0  0  0  0 
  8 26  1  1  0  0  0 
 13 12  1  0  0  0  0 
 23 27  2  0  0  0  0 
 12  9  2  0  0  0  0 
  3 28  1  6  0  0  0 
 13 14  2  0  0  0  0 
 28 29  1  0  0  0  0 
M  END
> <ID>
CHEBI:66733

> <NAME>
Periglaucine C

> <DEFINITION>
A natural product found in Pericampylus glaucus. 

> <STAR>
2

> <SYNONYM>
(7alpha,8beta,10beta)-8,10-epoxy-7,8-dimethoxy-2,3-[methylenebis(oxy)]-17-methyl-6,16-dioxohasubanan

> <FORMULA>
C20H21NO7

> <MASS>
387.38320

> <MONOISOTOPIC_MASS>
387.13180

> <CHARGE>
0

> <SMILES>
[H][C@@]12C[C@]34N(C)C(=O)C[C@]3(CC(=O)[C@@H](OC)[C@]4(OC)O1)c1cc3OCOc3cc21

> <INCHI>
InChI=1S/C20H21NO7/c1-21-16(23)8-18-6-12(22)17(24-2)20(25-3)19(18,21)7-15(28-20)10-4-13-14(5-11(10)18)27-9-26-13/h4-5,15,17H,6-9H2,1-3H3/t15-,17+,18+,19-,20-/m0/s1

> <INCHIKEY>
JCBUXRPOTHJGDK-VRCPBSEVSA-N

> <PUBMED_CITATION>
18396905

$$$$