LMPK12111110
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
   12.5465    8.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5465    7.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4088    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2711    7.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2711    8.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4088    9.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1336    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9960    7.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9960    8.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1336    9.3399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1336    6.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8582    9.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7370    8.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6160    9.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6160   10.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7370   10.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8582   10.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6843    9.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4946   10.8619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4088    6.4688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6859    7.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6576    7.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286    7.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6312    9.3659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1687   10.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6589   10.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6722    9.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1589    8.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1419    8.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6433    9.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1566   10.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579   11.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0909   12.0321    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 18  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 32 33  2  0     0  0
M  END
> <LM_ID>
LMPK12111110

> <COMMON_NAME>
Scutellarein 7-glucuronide

> <SYSTEMATIC_NAME>
7-(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 7-glucuronide

> <INCHI_KEY>
DJSISFGPUUYILV-ZFORQUDYSA-N

> <INCHI>
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,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(O)=CC=3)=CC(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
61278

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
185617

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 75640

> <CITATION>
-

$$$$