LMPK12111468
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.7065    7.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7065    6.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3315    6.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9564    6.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9564    7.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3315    7.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5815    6.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2064    6.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2064    7.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5815    7.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8314    7.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    7.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1560    7.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1560    8.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    8.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8314    8.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5815    5.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    6.3732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3315    5.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2501    5.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7810    7.4556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8626    8.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7810    8.9421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6733    8.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    7.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    9.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3315    8.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4130    9.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
  3 20  1  0  0  0  0
 13 22  1  0  0  0  0
 14 24  1  0  0  0  0
  1 26  1  0  0  0  0
  6 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111468

> <COMMON_NAME>
Nobiletin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O8

> <MASS>
402.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MRIAQLRQZPPODS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=CC(OC)=C(OC)C=3)=CC(=O)C=2C(OC)=C1OC

> <KEGG_ID>
C10112

> <HMDB_ID>
HMDB0029540

> <CHEBI_ID>
7602

> <ABBREVIATION>
-

> <CAYMAN_ID>
15421

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
72344

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$