LMPK12113034
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.5601    7.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5562    6.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2363    6.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9206    6.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9245    7.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2444    8.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6009    6.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2849    6.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2890    7.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6087    8.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5968    5.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9732    8.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6666    7.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3638    8.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3679    8.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6747    9.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9773    8.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2323    5.8015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0521    9.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9651    6.5756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9572    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9611    5.7878    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1733    5.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7489    5.7837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4582    9.4349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9764   10.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2551    8.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0386    8.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9460    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  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
 18  3  1  0  0  0  0
 19 15  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 21 22  1  0  0  0  0
 20 22  1  0  0  0  0
  8 20  1  0  0  0  0
  2 29  1  0  0  0  0
 16 25  1  0  0  0  0
  1 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113034

> <COMMON_NAME>
Veronicafolin 3-O-sulfate

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O11S

> <MASS>
440.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VQSPGZFMRQWZRO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O11S/c1-25-10-6-8(4-5-9(10)19)16-18(29-30(22,23)24)15(21)13-11(28-16)7-12(26-2)17(27-3)14(13)20/h4-7,19-20H,1-3H3,(H,22,23,24)

> <SMILES>
C1(OC)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OS(O)(=O)=O)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259880

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$