LMPK12113165
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.2763    7.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2763    6.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9985    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7206    6.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7206    7.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9985    7.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4428    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1649    6.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1649    7.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4428    7.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4428    5.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8868    7.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6229    7.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3589    7.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3589    8.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6229    9.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8868    8.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8868    6.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9985    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.7488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9985    8.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2907    8.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6825    8.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2907    9.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    9.0234    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
  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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113165

> <COMMON_NAME>
Herbacetin 8-acetate

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H12O8

> <MASS>
344.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BRGVDAUNBGNDCG-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=C(OC(=O)C)C2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259967

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$