LMPK12100043
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.3898   11.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2808   12.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1715   11.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1715   10.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952   10.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0189   10.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0189   11.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952   12.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3898   10.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2808   10.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    9.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2096    8.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2096    7.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    7.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9806    7.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9806    8.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9420   12.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    6.1504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2845    9.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6474    9.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295    9.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9221    9.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8658    7.1726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6104   12.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7342   11.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396    7.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8461    6.2693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1028    7.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6133    9.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2626    8.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    8.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5679    7.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7684    7.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8969    7.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8193    8.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    9.0288    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
 14 18  1  0  0  0  0
 10 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 15 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 31 19  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  1     0  0
 30 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100043

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside

> <FORMULA>
C24H24O12

> <MASS>
504.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IHKNBCYHNGYRCB-VLZGJKPMSA-N

> <INCHI>
InChI=1S/C24H24O12/c1-10(25)33-9-18-21(29)22(30)23(31)24(36-18)35-17-7-12(32-2)6-16-20(17)13(8-19(28)34-16)11-3-4-14(26)15(27)5-11/h3-8,18,21-24,26-27,29-31H,9H2,1-2H3/t18-,21+,22+,23-,24-/m1/s1

> <SMILES>
C1(OC)C=C(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](COC(C)=O)O2)C2C(C3C=C(O)C(O)=CC=3)=CC(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44559794

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43485

> <CITATION>
3204377

$$$$