LMPK12111105
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.7153   -5.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7153   -6.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5727   -6.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303   -6.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303   -5.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5727   -4.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2880   -6.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1455   -6.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1455   -5.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2880   -4.5347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2880   -7.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0027   -4.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8768   -5.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7510   -4.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7510   -3.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8768   -3.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0027   -3.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8579   -4.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6245   -3.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5710   -7.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8592   -6.5144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0853   -9.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6316  -10.8539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6689  -10.3105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -7.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5681   -9.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8468   -8.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1039   -9.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3743   -9.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3931   -9.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1360   -8.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1547   -8.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8174   -7.3940    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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 20  3  1  0  0  0  0
  2 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 27 20  1  1     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 32 33  2  0     0  0
 28 22  1  6     0  0
M  END
> <LM_ID>
LMPK12111105

> <COMMON_NAME>
Scutellarein 5-glucuronide

> <SYSTEMATIC_NAME>
5-(beta-D-Glucopyranuronosyloxy)-6,7-bishydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C21H18O12

> <MASS>
462.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4',5,6,7-tetrahydroxyflavone 5-glucuronide

> <INCHI_KEY>
UHZMYIODMYOCOG-BHWDSYMASA-N

> <INCHI>
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)11-5-9(23)13-12(31-11)6-10(24)14(25)18(13)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-6,15-17,19,21-22,24-28H,(H,29,30)/t15-,16-,17+,19-,21+/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491801

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 75640

> <CITATION>
-

$$$$