LMPK12140227
  LIPID_MAPS_STRUCTURE_DATABASE

 41 46  0  0  0  0  0  0  0  0999 V2000
    8.9172    8.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9172    7.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7507    7.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5842    7.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5842    8.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7507    9.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4177    7.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2512    7.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2512    8.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4177    9.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0842    9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9336    8.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7831    9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7831   10.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9336   10.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0842   10.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4177    6.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6322   10.9128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0841    9.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7507    6.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9336   11.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7855   12.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7855   13.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9336   13.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0817   13.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0817   12.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3571   13.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3571   14.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1347   13.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0841    7.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2308   11.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6360   10.9105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1841   12.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1764   13.4154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3565   10.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3562   10.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322   11.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9082   12.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9043   12.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283   11.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6245   11.9466    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
 26 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>
LMPK12140227

> <COMMON_NAME>
Isoporiolide

> <SYSTEMATIC_NAME>


> <FORMULA>
C29H26O12

> <MASS>
566.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZGRAFMJBVGBGRY-YHTNOUMASA-N

> <INCHI>
InChI=1S/C29H26O12/c1-11-18-9-20-22(23(11)32)17(31)8-19(39-20)12-5-6-16(30)15(7-12)13-3-2-4-14(24(13)33)28(37)38-10-21-25(34)26(35)27(36)29(40-18)41-21/h2-7,9,19,21,25-27,29-30,32-36H,8,10H2,1H3/t19-,21+,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=C(O)C(=CC=C4)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>
94859281

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 679021

> <CITATION>
-

$$$$