LMPK12050355
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    8.8660    9.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8660    8.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470    7.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281    8.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281    9.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470    9.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5091    7.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3901    8.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3901    9.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5091    9.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470    6.6984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3107    6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1481    6.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9855    6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9855    7.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1481    8.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3107    7.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5091    6.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0106    6.2873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9854    9.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2004    9.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8424    6.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0913   10.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0913   12.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8021   13.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6614   11.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8032   10.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9467   11.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9480   12.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8033   12.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6600   12.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5154   12.7447    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  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
  7 18  2  0  0  0  0
 17  8  1  0  0  0  0
  1 20  1  0  0  0  0
 14 19  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 31 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  0     0  0
 31 32  1  6     0  0
 28 23  1  6     0  0
 29 24  1  6     0  0
 30 25  1  1     0  0
 27  6  1  1     0  0
M  END
> <LM_ID>
LMPK12050355

> <COMMON_NAME>
Volubilin

> <SYSTEMATIC_NAME>
8-(6-Deoxy-alpha-L-mannopyranosyl)-5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C23H24O9

> <MASS>
444.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DXJQWYBXEGXWSW-GRMHDWRHSA-N

> <INCHI>
InChI=1S/C23H24O9/c1-10-18(25)20(27)21(28)23(32-10)17-15(30-3)8-14(24)16-19(26)13(9-31-22(16)17)11-4-6-12(29-2)7-5-11/h4-10,18,20-21,23-25,27-28H,1-3H3/t10-,18-,20+,21+,23-/m0/s1

> <SMILES>
C1(OC)=C([C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C2OC=C(C3C=CC(OC)=CC=3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101286207

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1544813

> <CITATION>
-

$$$$