LMPK12050224
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   10.4512    9.7946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3392    9.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2271    9.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1149    9.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1149    8.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0356    7.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9562    8.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9562    9.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0356    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3395    8.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2271    7.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0356    6.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8760    7.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8760    6.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7562    6.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6362    6.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6362    7.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7562    8.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2104    6.7221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4626   10.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3484   11.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2342   10.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3484   12.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1200   11.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3300    6.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0199    6.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0058   10.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1200   12.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2685    7.8638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5047    7.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9288    8.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7786    9.9529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    9.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4805    8.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5960    8.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8081    8.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8994    9.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1115   10.1105    0.0000 C   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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 11 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 21 23  2  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
 37 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  0     0  0
 36 37  1  0     0  0
 37 38  1  1     0  0
 33  1  1  1     0  0
 34 29  1  6     0  0
 35 30  1  1     0  0
 36 31  1  6     0  0
 38 20  1  0     0  0
M  END
> <LM_ID>
LMPK12050224

> <COMMON_NAME>
Bichanin A 7-O-glucoside-6''-malonate

> <SYSTEMATIC_NAME>
3-(4-Methoxyphenyl)-5-hydroxy-7-[6-O-(1-oxo-2-carboxyethyl)-beta-D-glucopyranosyloxy]-4H-1-benzopyran-4-one

> <FORMULA>
C25H24O13

> <MASS>
532.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VRCBYTZZZFFKEN-RBZNUJCTSA-N

> <INCHI>
InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(=O)O)O1)C1C=C(O)C2C(=O)C(C3C=CC(OC)=CC=3)=COC=2C=1

> <KEGG_ID>
C12625

> <HMDB_ID>
-

> <CHEBI_ID>
28556

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282148

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3827

> <CITATION>
-

$$$$