LMPK12020229
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0     0  0            999 V2000
   18.4995   11.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6385   12.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7775   11.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7775   10.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6385   10.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4995   10.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9165   12.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0554   11.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0554   10.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9165   10.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1943   12.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3606   12.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2216   11.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0825   12.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0825   13.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2216   13.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3606   13.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9436   13.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6175    7.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5064    7.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5064    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6175    9.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7286    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7286    7.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6175    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3954    9.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8395    9.2299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9505    7.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8395    7.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1725    7.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0616    7.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3946    7.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2835    7.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    7.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5056    7.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8388    7.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7276    7.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    7.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8395    6.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  2  0  0  0  0
  8 11  1  0  0  0  0
  1 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  5 22  1  1  0  0  0
 19 25  1  0  0  0  0
 26 21  1  0  0  0  0
 23 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  1  0  0  0  0
 32 33  1  0  0  0  0
 33 30  1  0  0  0  0
 34 35  1  0  0  0  0
 35 32  1  0  0  0  0
 36 37  1  0  0  0  0
 37 34  1  0  0  0  0
 38 39  1  0  0  0  0
 39 36  1  0  0  0  0
 29 40  2  0  0  0  0
M  END
> <LM_ID>
LMPK12020229

> <COMMON_NAME>
(+)-Myristinin A

> <SYSTEMATIC_NAME>
trans-(+)-1-[3-[3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxyphenyl]-1-dodecanone

> <FORMULA>
C33H40O7

> <MASS>
548.28

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JGXZVDAPLSTBGZ-IRPSRAIASA-N

> <INCHI>
InChI=1S/C33H40O7/c1-2-3-4-5-6-7-8-9-10-11-26(36)32-28(38)20-27(37)31(33(32)39)25-19-29(21-12-14-22(34)15-13-21)40-30-18-23(35)16-17-24(25)30/h12-18,20,25,29,34-35,37-39H,2-11,19H2,1H3/t25-,29+/m1/s1

> <SMILES>
[C@@H]1(C2C=CC(O)=CC=2)C[C@@H](C2C(O)=C(C(=O)CCCCCCCCCCC)C(O)=CC=2O)C2=CC=C(O)C=C2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169347

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
497359

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1504465

> <CITATION>
12153244

$$$$