LMPK12110853
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
   11.7118    8.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    7.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5840    7.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4564    7.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4564    8.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5840    9.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3287    7.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2009    7.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2009    8.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3287    9.3169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3287    6.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5840    6.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2671    9.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1851    8.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1054    9.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1077   10.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1895   11.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2693   10.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9975   11.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8398    9.3168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9589    8.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1895   11.9493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8751   12.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9589    8.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7304    5.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9679    4.7775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2108    5.7949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9677    7.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4351    7.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518    7.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518    6.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9677    5.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0893    6.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0893    7.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2108    7.8299    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
  3 12  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
 30  2  1  1     0  0
M  END
> <LM_ID>
LMPK12110853

> <COMMON_NAME>
Isopyrenin

> <SYSTEMATIC_NAME>
6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C23H24O12

> <MASS>
492.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UERIKSDFHRCLRS-IBUWVLCJSA-N

> <INCHI>
InChI=1S/C23H24O12/c1-32-13-3-8(4-14(33-2)18(13)27)11-5-9(25)16-12(34-11)6-10(26)17(20(16)29)23-22(31)21(30)19(28)15(7-24)35-23/h3-6,15,19,21-24,26-31H,7H2,1-2H3/t15-,19-,21+,22-,23+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)C(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101316786

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2597687

> <CITATION>
-

$$$$