LMPK12140696
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0  0  0  0  0  0  0  0999 V2000
    7.5442    7.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3565    7.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1688    7.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1688    8.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3565    8.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5442    8.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3565    6.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.9654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9811    7.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7934    7.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7934    8.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9811    8.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6050    8.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9811    6.2728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1623    9.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2285    9.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1612    9.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4858    8.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4862    8.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5504   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5453   11.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1471   10.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7313   11.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9148   11.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9148   12.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1114   12.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3080   12.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3080   11.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1114   10.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5057   12.5265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9533    8.5050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4858    7.5595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5126   13.4020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4465   13.4898    0.0000 C   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
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
 11 13  1  6  0  0  0
  9 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  2  0  0  0  0
 26 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140696

> <COMMON_NAME>
Silymonin

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H22O9

> <MASS>
466.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LNLXUVRWFZAUFM-KNQGUNCGSA-N

> <INCHI>
InChI=1S/C25H22O9/c1-32-19-4-10(2-3-15(19)27)21-13-9-33-25(31)14(13)7-12(22(21)24(25)30)18-8-17(29)23-16(28)5-11(26)6-20(23)34-18/h2-7,13-14,18,21-22,26-28,31H,8-9H2,1H3/t13?,14?,18-,21?,22?,25+/m0/s1

> <SMILES>
C1C(O)=CC2O[C@H](C3C4C(C5C=CC(O)=C(OC)C=5)C5CO[C@@](O)(C4=O)C5C=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608131

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 92921

> <CITATION>
17402024

$$$$