LMPK12140336
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   11.5270    8.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5270    7.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4235    7.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3199    7.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3199    8.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4235    9.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2163    7.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1128    7.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1128    8.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2163    9.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0089    9.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9226    8.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8360    9.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8360   10.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9226   11.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0089   10.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2163    6.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6306    9.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4235    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7854   11.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6818   10.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1128    9.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0989    7.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1618    7.0319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7615    8.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9592    9.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3858    9.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6646    9.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3988    8.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4275    7.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7275    8.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9933    9.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2932   10.3852    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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  1     0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  1     0  0
 28 18  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12140336

> <COMMON_NAME>
Isosakuranin

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-4'-methoxyflavanone 7-O-glucoside

> <FORMULA>
C22H24O10

> <MASS>
448.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
isosakuranetin-7-glucoside

> <INCHI_KEY>
KEEWIHDTSNESJZ-ZJHVPRRPSA-N

> <INCHI>
InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3/t15-,17+,19+,20-,21+,22+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2O[C@]([H])(C3C=CC(OC)=CC=3)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168532

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102004611

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3754

> <CITATION>
-

$$$$