LMPK12113421
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.9442   -5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9442   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8110   -7.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6779   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6779   -5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8110   -5.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5447   -7.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4116   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4116   -5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5447   -5.1527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8110   -8.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0776   -7.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0776   -5.1530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2129   -6.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3502   -7.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4873   -6.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3502   -8.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2784   -7.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0102   -7.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1456   -6.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0108   -8.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2790   -8.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1490   -8.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4141   -8.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8785   -8.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513   -8.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2117   -5.6531    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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  1     0  0
 20 18  2  0     0  0
 18 22  1  0     0  0
 22 23  2  0     0  0
 23 21  1  0     0  0
 21 19  2  0     0  0
 19 20  1  0     0  0
 22 24  1  0     0  0
 21 25  1  0     0  0
 11 26  1  0     0  0
 13 27  1  0     0  0
M  END
> <LM_ID>
LMPK12113421

> <COMMON_NAME>
Glyasperin D

> <SYSTEMATIC_NAME>
4-((R)-5,7-Dimethoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl)-benzene-1,3-diol

> <FORMULA>
C22H26O5

> <MASS>
370.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DDMAUIOCNQXFHL-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C22H26O5/c1-13(2)5-7-17-20(25-3)11-21-18(22(17)26-4)9-14(12-27-21)16-8-6-15(23)10-19(16)24/h5-6,8,10-11,14,23-24H,7,9,12H2,1-4H3/t14-/m0/s1

> <SMILES>
C1(OC)=CC2OC[C@@H](C3C(O)=CC(O)=CC=3)CC=2C(OC)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69084

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
480860

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74709

> <CITATION>
-

$$$$