LMPK12020032
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    7.3234    8.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3234    7.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2097    7.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0959    7.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0959    8.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2097    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9821    7.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8684    7.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8684    8.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9821    9.1493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7546    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6482    8.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417    9.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5417   10.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6482   10.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7546   10.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3971   10.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4374    9.1493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7546    7.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2097    6.0817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0611   11.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7117   10.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6958    8.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2158    9.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9302    7.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2211   10.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0531   10.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8799   10.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8717    9.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0399    8.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0319    7.7969    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
  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  6  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
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  1  0  0  0
  3 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 26 17  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
M  END
> <LM_ID>
LMPK12020032

> <COMMON_NAME>
Afzelechin 4'-O-beta-D-glucopyranoside

> <SYSTEMATIC_NAME>
(2R,3S)-2alpha-[4-(beta-D-Glucopyranosyloxy)phenyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <FORMULA>
C21H24O10

> <MASS>
436.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IXZVCFYFCCLMQA-DPRDWZRASA-N

> <INCHI>
InChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)29-11-3-1-9(2-4-11)20-14(25)7-12-13(24)5-10(23)6-15(12)30-20/h1-6,14,16-28H,7-8H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)[C@@H](O)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10094553

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 194882

> <CITATION>
-

$$$$