LMPK12113419
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.9504   -8.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9504   -9.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8165   -9.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6826   -9.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6826   -8.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8165   -7.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5486   -9.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148   -9.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148   -8.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5486   -7.8293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5486  -10.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8165  -10.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0846   -7.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2207   -9.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3588   -9.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4967   -9.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3588  -10.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0844   -6.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2808   -9.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0111   -9.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1472   -9.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0117  -10.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2814  -10.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1507  -11.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4172  -11.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8786  -11.3274    0.0000 O   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
  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
  2 13  1  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0     0  0
  8  9  1  0  0  0  0
  8 20  1  0     0  0
 22 20  2  0     0  0
 20 24  1  0     0  0
 24 25  2  0     0  0
 25 23  1  0     0  0
 23 21  2  0     0  0
 21 22  1  0     0  0
 24 26  1  0     0  0
 23 27  1  0     0  0
M  END
> <LM_ID>
LMPK12113419

> <COMMON_NAME>
Glyasperin B

> <SYSTEMATIC_NAME>
3-(2,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one

> <FORMULA>
C21H22O6

> <MASS>
370.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PDKHNRSRVURSHL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O6/c1-11(2)4-6-14-17(26-3)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(22)8-16(13)23/h4-5,7-9,15,22-24H,6,10H2,1-3H3

> <SMILES>
C1(OC)=CC2OCC(C3C(O)=CC(O)=CC=3)C(=O)C=2C(O)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
480784

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74709

> <CITATION>
-

$$$$