LMPK12060044
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0     0  0            999 V2000
    8.3483   10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3483    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1961    9.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0441    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0441   10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1961   11.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    9.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7400    9.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7400   10.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920   11.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5875    9.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5877    8.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4942    7.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4009    8.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4009    9.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4942    9.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5877   11.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    8.2595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5040   10.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2489    7.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7400    8.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9925   12.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0188   12.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6205   11.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292   13.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0188   13.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5501   13.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4942    6.6894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 29 30  1  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
  8 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
  9 17  1  0  0  0  0
  7 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 17  1  0  0  0  0
 14 20  1  0  0  0  0
  8 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060044

> <COMMON_NAME>
Volubinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O8

> <MASS>
414.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DPDXNBBSGYDSMO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H22O8/c1-10(8-23)16-5-12-15(29-16)4-3-11-20(12)30-19-9-28-17-7-14(24)18(27-2)6-13(17)22(19,26)21(11)25/h3-4,6-7,10,16,19,23-24,26H,5,8-9H2,1-2H3

> <SMILES>
C12OC(C(CO)C)CC=1C1OC3COC4C(=CC(OC)=C(O)C=4)C3(O)C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179272

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14283884

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1544813

> <CITATION>
-

$$$$