LMPK12140605
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0            999 V2000
   11.4136   -6.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4136   -7.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3302   -7.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2469   -7.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2469   -6.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3302   -5.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1636   -7.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0803   -7.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0803   -6.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1636   -5.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9966   -5.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9309   -6.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8651   -5.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8651   -4.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9309   -3.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9966   -4.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1636   -8.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4974   -5.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3302   -8.7740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4974   -7.7156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2465   -7.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2753   -6.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5946   -4.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2049   -4.4635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8806   -3.3582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5494   -5.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9062   -6.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9184   -5.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5782   -5.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2214   -4.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8811   -3.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4529   -2.5325    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  1  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
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 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  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 26 18  1  1     0  0
 31 32  2  0     0  0
M  END
> <LM_ID>
LMPK12140605

> <COMMON_NAME>
Dihydrobaicalein 7-O-glucuronide

> <SYSTEMATIC_NAME>
5,6,7-Trihydroxyflavanone 7-O-glucuronide

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UVNUGBQJLDGZKE-UHSUVFMESA-N

> <INCHI>
InChI=1S/C21H20O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-5,7,10,16-19,21,23-27H,6H2,(H,28,29)/t10?,16-,17-,18+,19-,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0134900

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5316693

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53169

> <CITATION>
-

$$$$