LMPK12112974
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
   12.0804    7.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3325    7.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3325    8.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0804    9.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8282    8.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8282    7.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5846    7.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8368    7.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0889    7.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0889    6.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8368    6.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5846    6.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3411    7.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5933    7.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5933    6.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3411    6.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8368    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8454    7.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3325    6.1110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3411    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5760    9.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0804    9.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9013    6.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1671    6.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9853    6.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    7.8381    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    8.4114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    7.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
M  END
> <LM_ID>
LMPK12112974

> <COMMON_NAME>
Axillarin 7-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O11S

> <MASS>
426.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Quercetagetin 3,6-dimethyl ether 7-sulfate

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
188021

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL5FECGSS001

> <PUBCHEM_COMPOUND_ID>
5323515

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12112974

$$$$