LMPK12113270
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
   13.4800    9.2608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9980    7.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5841    5.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0981    8.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8065    8.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7730    8.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0314    7.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3244    6.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3579    7.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6509    6.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0157   11.1707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0157   13.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5671    9.7751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442    8.8445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5675   12.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3887   13.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2099   12.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2099   11.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3887   11.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5675   11.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9559    8.8445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9559   11.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7614   11.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7617   10.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9559    9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442   11.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   11.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500   10.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442    9.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5384   10.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5384   11.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442   12.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3887   14.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2547   14.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2103   13.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  6     0  0
  6  1  1  6     0  0
  7  2  1  6     0  0
  8  3  1  1     0  0
 19 11  1  0  0  0  0
 32 12  1  0  0  0  0
 13 18  1  0  0  0  0
 25 14  1  0  0  0  0
 30 15  1  0  0  0  0
 16 21  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 24 21  1  0  0  0  0
 26 22  2  0  0  0  0
 23 28  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 29 26  1  0  0  0  0
 27 32  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
  5 14  1  1     0  0
 27 33  1  0     0  0
 17 34  1  0     0  0
 34 35  1  0     0  0
 33 36  1  0     0  0
M  END
> <LM_ID>
LMPK12113270

> <COMMON_NAME>
Hibiscetin 8,3'-dimethyl ether 3-rhamnoside

> <SYSTEMATIC_NAME>
3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C23H24O13

> <MASS>
508.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-Hydroxymyricetin 8,5'-dimethyl ether 3-rhamnoside

> <INCHI_KEY>
SLKYVXNLSZNUTP-YAHRKBNESA-N

> <INCHI>
InChI=1S/C23H24O13/c1-7-14(27)17(30)18(31)23(34-7)36-22-16(29)13-9(24)6-11(26)20(33-3)21(13)35-19(22)8-4-10(25)15(28)12(5-8)32-2/h4-7,14,17-18,23-28,30-31H,1-3H3/t7-,14-,17+,18+,23-/m0/s1

> <SMILES>
O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1OC1C(C2C(=CC(=C(OC)C=2OC=1C1=CC(=C(C(OC)=C1)O)O)O)O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101929801

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1830100; 33090

> <CITATION>
-

$$$$