LMPK12120573
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.6854    7.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6854    6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3727    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0600    6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0600    7.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3727    7.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7454    6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4309    6.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1163    6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8018    6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    6.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1376    6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1376    7.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    7.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8018    7.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7454    5.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4309    7.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8230    7.8670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7094    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3727    5.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2591    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.8893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.1300    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  8 17  1  0  0  0  0
  1 22  1  0  0  0  0
  3 20  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120573

> <COMMON_NAME>
O-Methylodoratol

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H20O5

> <MASS>
316.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PQWHNGRYDDJGPN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H20O5/c1-21-13-6-4-12(5-7-13)10-16(19)18(20)15-9-8-14(22-2)11-17(15)23-3/h4-9,11,16,19H,10H2,1-3H3

> <SMILES>
C1(OC)C=CC(C(=O)C(O)CC2C=CC(OC)=CC=2)=C(OC)C=1

> <KEGG_ID>
C09774

> <HMDB_ID>
-

> <CHEBI_ID>
847

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442421

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$