LMPK12060040
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    9.0732   10.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0732    9.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9121    9.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    9.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510   10.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9121   11.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5899    9.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4288    9.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4288   10.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5899   11.1423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2672    9.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2675    8.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1645    7.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0612    8.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0612    9.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1645    9.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5899    8.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2053   10.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2677   11.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4288    8.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7107   12.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7472   12.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3534   11.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2628   13.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7472   13.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2941   13.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   12.4686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9004    7.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2063    8.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1645    6.6827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2418    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 28 29  1  0  0  0  0
 30 31  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  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 11  2  0  0  0  0
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  8 20  1  0  0  0  0
  1  2  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 14 28  1  0  0  0  0
 13 30  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060040

> <COMMON_NAME>
Dalbinol

> <SYSTEMATIC_NAME>
(2R,6aR,12aR)-1,2,12,12a-Tetrahydro-6a-hydroxy-2-[1-(hydroxymethyl)ethenyl]-8,9-dimethoxy-[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6 (6aH)-one

> <FORMULA>
C23H22O8

> <MASS>
426.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MYQAATJJIDGOMQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H22O8/c1-11(9-24)16-6-13-15(30-16)5-4-12-21(13)31-20-10-29-17-8-19(28-3)18(27-2)7-14(17)23(20,26)22(12)25/h4-5,7-8,16,20,24,26H,1,6,9-10H2,2-3H3

> <SMILES>
C12OC(C(CO)=C)CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C3(O)C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257412

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1288010

> <CITATION>
-

$$$$