LMPK12112777
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.2515    7.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2515    6.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9486    6.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6458    6.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6458    7.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9486    7.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3429    6.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400    6.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400    7.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3429    7.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3429    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7371    7.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4475    7.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    7.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    8.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4477    8.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7371    8.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9486    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8553    8.8854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4477    9.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8553    7.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7371    6.0525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8224    6.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
 16 21  1  0  0  0  0
  2 22  1  0  0  0  0
 14 23  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112777

> <COMMON_NAME>
Alluaudiol

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O8

> <MASS>
346.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NYLZWWYZSQFXJT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O8/c1-6-8(18)5-11-12(13(6)21)15(23)17(24-2)16(25-11)7-3-9(19)14(22)10(20)4-7/h3-5,18-22H,1-2H3

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193198

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259707

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$