LMPK12050460
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    8.4290    9.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4290    8.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2786    7.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1282    8.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1282    9.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2786    9.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9778    7.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8274    8.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8274    9.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9778    9.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6766    7.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6766    6.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5849    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4933    6.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4933    7.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5849    8.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9778    6.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3936    6.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5798    9.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2786   10.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4294   11.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4294   12.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2786   12.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5801   12.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5849    9.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   12.0484    0.0000 O   0  0  0  0  0  0  0  0  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
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
 18 14  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050460

> <COMMON_NAME>
5-Deoxykievitol

> <SYSTEMATIC_NAME>
3-(2,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-8-(4-hydroxy-3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C20H20O6

> <MASS>
356.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VPCRIHAWNUNORJ-BIIKFXOESA-N

> <INCHI>
InChI=1S/C20H20O6/c1-11(9-21)2-4-14-17(23)7-6-15-19(25)16(10-26-20(14)15)13-5-3-12(22)8-18(13)24/h2-3,5-8,16,21-24H,4,9-10H2,1H3/b11-2+

> <SMILES>
C1(O)C=CC2C(=O)C(C3=C(O)C=C(O)C=C3)COC=2C=1C/C=C(/CO)\C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038774

> <CHEBI_ID>
169315

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257381

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3884

> <CITATION>
-

$$$$