LMPK07000008
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.8564    6.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633    7.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5680    6.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1414    6.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5816    7.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1483    7.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2829    6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5611    5.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299    6.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1346    5.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2931    7.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    7.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1552    8.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9875    6.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2725    5.6634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7184    6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0081    7.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7184    7.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7059    6.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9738    5.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7184    5.2646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7162    7.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0047    8.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4174    6.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414    7.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1392    6.4436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4037    5.2165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  6  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  6  0  0  0
 18 25  2  0  0  0  0
 19 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 19 23  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK07000008

> <COMMON_NAME>
4-Dedimethyl-6-dehydro-anhydrotetracycline

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18N2O7

> <MASS>
398.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Linear tetracyclines [PK07]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
INUFQOJZVFLXMQ-RQHCSDSKSA-N

> <INCHI>
InChI=1S/C20H18N2O7/c1-6-7-3-2-4-10(23)11(7)15(24)12-8(6)5-9-14(21)16(25)13(19(22)28)18(27)20(9,29)17(12)26/h2-4,9,14,23-25,29H,5,21H2,1H3,(H2,22,28)/t9?,14-,20-/m0/s1

> <SMILES>
C12C(O)=C3C(C=CC=C3O)=C(C)C=1CC1[C@@](O)(C(=O)C(=C(O)[C@H]1N)C(=O)N)C2=O

> <KEGG_ID>
C06654

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54719889

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$