LMPK12113212
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.8313   10.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8313    9.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6806    9.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298    9.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5298   10.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6806   11.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3791    9.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2284    9.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2284   10.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3791   11.3089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3791    8.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0939   11.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596   10.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   11.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   12.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596   12.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0939   12.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6806    8.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6903   12.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1493    9.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596   13.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6806   12.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153   12.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153   13.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   12.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9660   11.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2347   10.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0789    8.5884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4220    6.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8374    5.2506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5274    7.6347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3218    8.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2866    7.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4573    6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6648    6.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7001    6.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9685    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
  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
  4  3  1  0  0  0  0
 16 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
 36 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  0     0  0
 36 37  1  6     0  0
 32 20  1  1     0  0
 33 28  1  6     0  0
 34 29  1  6     0  0
 35 30  1  1     0  0
M  END
> <LM_ID>
LMPK12113212

> <COMMON_NAME>
Purifolin

> <SYSTEMATIC_NAME>
3,5,8,3',4'-Pentahydroxy-7-methoxyflavone 3-rhamnoside-8-acetate

> <FORMULA>
C24H24O13

> <MASS>
520.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-acetoxy-3,3',4',5-tetrahydroxy-7-methoxyflavone 3-O-alpha-L-rhamnopyranoside

> <INCHI_KEY>
XCQNRWMPPLJRCM-PZSVWFBASA-N

> <INCHI>
InChI=1S/C24H24O13/c1-8-16(29)18(31)19(32)24(34-8)37-23-17(30)15-13(28)7-14(33-3)21(35-9(2)25)22(15)36-20(23)10-4-5-11(26)12(27)6-10/h4-8,16,18-19,24,26-29,31-32H,1-3H3/t8-,16-,18+,19+,24-/m0/s1

> <SMILES>
C1(OC)=C(OC(C)=O)C2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45359796

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1526676

> <CITATION>
-

$$$$