LMPK12113166
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.8263    7.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8263    6.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5560    6.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2858    6.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2858    7.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5560    7.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    6.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7453    6.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7453    7.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    7.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    5.4329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4748    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2184    7.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9622    7.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9622    8.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2184    9.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4748    8.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4748    6.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5560    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0968    7.7751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5560    8.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8407    9.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2261    8.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8407    9.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7057    9.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6123    9.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.6765    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
  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
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113166

> <COMMON_NAME>
Herbacetin 8-butyrate

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H16O8

> <MASS>
372.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TZSJAFZOKOZXHG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H16O8/c1-2-3-13(23)26-18-12(22)8-11(21)14-15(24)16(25)17(27-19(14)18)9-4-6-10(20)7-5-9/h4-8,20-22,25H,2-3H2,1H3

> <SMILES>
C1(O)=C(OC(=O)CCC)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>
44259968

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$