LMPK12140226
  LIPID_MAPS_STRUCTURE_DATABASE

 41 46  0  0  0  0  0  0  0  0999 V2000
    8.9301    8.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9301    8.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7649    7.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5996    8.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5996    8.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7649    9.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4342    7.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2690    8.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2690    8.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4342    9.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1032    9.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9538    8.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8046    9.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8046   10.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9538   10.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1032   10.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4342    6.7121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6550   10.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0959    9.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7649    6.5646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9538   11.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8069   12.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8069   13.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9538   13.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1007   13.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1007   12.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3751   13.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3751   14.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0993   13.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0959    7.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9538   14.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6456   10.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1946   12.9179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1897   13.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3700   10.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3684   10.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6433   11.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9197   12.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9172   12.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6423   11.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6400   11.9639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 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 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  2 30  1  0  0  0  0
 24 31  1  0  0  0  0
 40 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  1     0  0
 36 19  1  1     0  0
 37 32  1  6     0  0
 38 33  1  1     0  0
 39 34  1  6     0  0
 29 41  1  0     0  0
M  END
> <LM_ID>
LMPK12140226

> <COMMON_NAME>
Poriolide

> <SYSTEMATIC_NAME>


> <FORMULA>
C29H26O12

> <MASS>
566.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MIOHHCVOLDOCCT-SCCVXPFZSA-N

> <INCHI>
InChI=1S/C29H26O12/c1-11-19-9-21-23(24(11)33)18(32)8-20(39-21)13-3-5-16(30)14(7-13)12-2-4-17(31)15(6-12)28(37)38-10-22-25(34)26(35)27(36)29(40-19)41-22/h2-7,9,20,22,25-27,29-31,33-36H,8,10H2,1H3/t20-,22+,25+,26-,27+,29+/m0/s1

> <SMILES>
C12O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C4=CC(=CC=C4O)C4=CC(=CC=C4O)[C@H]4OC(C=1)=C(C(=O)C4)C(O)=C2C)O3

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
98056895

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 679021

> <CITATION>
-

$$$$