LMPK12113149
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5834    8.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5834    7.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    7.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2862    7.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2862    8.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1377    7.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890    7.8342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890    8.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1377    9.3089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8398    9.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7421    8.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6443    9.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6443   10.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7421   10.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8398   10.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1377    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5457   10.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349    6.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8398    7.3430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4349   10.2913    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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  8 21  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113149

> <COMMON_NAME>
Herbacetin

> <SYSTEMATIC_NAME>
3,5,7,8-Tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C15H10O7

> <MASS>
302.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZDOTZEDNGNPOEW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H

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

> <KEGG_ID>
C02806

> <HMDB_ID>
-

> <CHEBI_ID>
27673

> <ABBREVIATION>
-

> <CAYMAN_ID>
19285

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280544

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 34274

> <CITATION>
-

$$$$