LMPK12113388
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.6561    8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6561    7.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232    7.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3903    7.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3903    8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232    9.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2575    7.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1246    7.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1246    8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2575    9.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2575    6.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9915    9.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8752    8.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7589    9.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7589   10.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8752   10.8855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9915   10.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6263   10.8758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232    6.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7889    9.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9989    7.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8752    7.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6263    8.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7889    7.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7728    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
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 13  1  0  0  0  0
 14 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113388

> <COMMON_NAME>
Benthamianin

> <SYSTEMATIC_NAME>
3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one

> <FORMULA>
C17H12O8

> <MASS>
344.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PXMLYJQOBCTZQP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O8/c1-23-16-9(19)4-10-11(13(16)21)14(22)17-15(25-10)6-2-3-8(18)12(20)7(6)5-24-17/h2-4,18-21H,5H2,1H3

> <SMILES>
C1(O)=CC2OC3C4C=CC(O)=C(O)C=4COC=3C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260088

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 162759

> <CITATION>
-

$$$$