LMPK13050004
  LIPID_MAPS_STRUCTURE_DATABASE

 38 42  0  0  0  0  0  0  0  0999 V2000
    9.7243    8.1620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2421    7.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2421    6.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5530    7.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5530    6.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8686    7.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8686    6.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5530    5.2475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1840    7.6267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1886    6.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5883   10.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2640   10.0727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2640   10.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2585   11.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5038   10.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0112   10.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145   10.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4123   10.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1101   10.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080   10.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    9.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1982   10.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8961   10.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    9.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4069    9.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0991    9.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080    9.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4948    9.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1926    9.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8905    9.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5883    9.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7090    8.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0935    8.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4892    8.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1125   11.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4948   11.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9724   10.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 15  1  0  0  0  0
  6  7  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  2  0  0  0  0
  2  1  1  1  0  0  0
 22 23  1  0  0  0  0
 23 11  1  0  0  0  0
 11 12  1  6  0  0  0
 21 24  2  0  0  0  0
  2  3  1  0  0  0  0
 24 25  1  0  0  0  0
 11 13  1  1  0  0  0
 25 26  1  0  0  0  0
  2  4  1  0  0  0  0
 26 27  1  0  0  0  0
 13 14  1  0  0  0  0
 27 28  1  0  0  0  0
  3  5  1  0  0  0  0
 28 29  2  0  0  0  0
  4  6  1  0  0  0  0
 29 30  1  0  0  0  0
  5  7  1  0  0  0  0
 30 31  1  0  0  0  0
 16 17  2  0  0  0  0
 24 32  1  0  0  0  0
  5  8  1  6  0  0  0
 26 33  2  0  0  0  0
 17 18  1  0  0  0  0
 28 34  1  0  0  0  0
 30  1  1  6  0  0  0
 18 25  2  0  0  0  0
 20 27  2  0  0  0  0
 22 29  1  0  0  0  0
  6  9  1  6  0  0  0
 19 35  2  0  0  0  0
 11 31  1  0  0  0  0
 18 19  1  0  0  0  0
 15 36  1  0  0  0  0
  7 10  1  6  0  0  0
 32 37  1  0  0  0  0
 19 20  1  0  0  0  0
 13 38  1  0  0  0  0
M  END
> <LM_ID>
LMPK13050004

> <COMMON_NAME>
13-Dihydrodaunorubicin

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H31NO10

> <MASS>
529.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Anthracyclinones [PK1305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HJEZFVLKJYFNQW-FKKRWUELSA-N

> <INCHI>
InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11?,14-,16-,17-,22+,27-/m0/s1

> <SMILES>
O([C@H]1C[C@@](C(C)O)(O)CC2C1=C(O)C1=C(C(C3=C(C1=O)C(OC)=CC=C3)=O)C=2O)[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](N)C1

> <KEGG_ID>
C12430

> <HMDB_ID>
-

> <CHEBI_ID>
31059

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
83845

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$