LMPK12112929
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   11.8933    8.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8933    7.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8158    7.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7382    7.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7382    8.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8158    9.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6607    7.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5833    7.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5833    8.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6607    9.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6607    6.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5053    9.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4456    8.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3857    9.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3857   10.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4456   10.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5053   10.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9712    9.2554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8158    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1669   10.8453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1099    7.2219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4380   11.7307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5426    7.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3308    7.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2058    7.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2467   12.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5660   10.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0979   12.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0310   13.1111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2057   10.4726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5250   12.6824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2352   10.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5327   10.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8005   11.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7670   12.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4696   11.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4362   11.6859    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
  8 23  1  0  0  0  0
 16 22  1  0  0  0  0
  2 21  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  1     0  0
 32 18  1  1     0  0
 33 27  1  6     0  0
 34 28  1  1     0  0
 35 29  1  6     0  0
M  END
> <LM_ID>
LMPK12112929

> <COMMON_NAME>
Jacein

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H26O13

> <MASS>
522.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NYTZRFVFIRTFIX-NPVWYNPDSA-N

> <INCHI>
InChI=1S/C24H26O13/c1-32-11-6-9(4-5-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11577257

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$