LMPK12080040
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0            999 V2000
    9.1514   -5.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1522   -6.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918   -7.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8305   -6.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8295   -5.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9900   -5.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6700   -7.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5087   -6.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078   -5.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6683   -5.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3484   -7.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495   -8.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2472   -8.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1440   -8.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1427   -7.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2449   -6.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117   -5.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483   -9.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4525   -8.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5543   -8.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0422   -8.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9393   -8.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9891   -4.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8862   -3.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  6     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  1  2  1  0     0  0
  1 17  1  0     0  0
 13 18  1  0     0  0
 12 19  1  0     0  0
 19 20  1  0     0  0
 14 21  1  0     0  0
 21 22  1  0     0  0
  6 23  1  0     0  0
 23 24  1  0     0  0
M  END
> <LM_ID>
LMPK12080040

> <COMMON_NAME>
Duartin

> <SYSTEMATIC_NAME>
(3S)-7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan

> <FORMULA>
C18H20O6

> <MASS>
332.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QVVPJFBYFYYVDM-LLVKDONJSA-N

> <INCHI>
InChI=1S/C18H20O6/c1-21-14-7-5-12(17(22-2)15(14)20)11-8-10-4-6-13(19)18(23-3)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3/t11-/m1/s1

> <SMILES>
C1(O)C=CC2C[C@@H](C3C=CC(OC)=C(O)C=3OC)COC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
107650

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6710727

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 450037

> <CITATION>
-

$$$$