LMPK12140004
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0  0  0  0  0  0  0  0999 V2000
   10.5213    7.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5391    8.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4731    7.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3228    7.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3112    8.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4488    9.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2123    9.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4731    6.2252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1131    8.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0141    9.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0141   10.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1131   10.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2123   10.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6472    9.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7374    8.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7374    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6472    7.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8365    9.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9357    8.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9357    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8365    7.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1346    8.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6472   10.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8585   10.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8585   11.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5615   11.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1554   11.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4082   10.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1131   11.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1131    7.9112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9461    8.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9461    7.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8471    7.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7479    7.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7479    8.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8471    9.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8471   10.1799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5656    7.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  5  7  1  6  0  0  0
  3  8  2  0  0  0  0
  7  9  2  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  7  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  1  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 13 29  1  0  0  0  0
 12 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 37 38  1  0  0  0  0
 35 39  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140004

> <COMMON_NAME>
Eriosemaone C

> <SYSTEMATIC_NAME>
(S)-2',3',6'-Trihydroxy-8-prenyl-5'-(2,4-dihydroxyphenyl)-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone

> <FORMULA>
C31H30O8

> <MASS>
530.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XFFLLCTVQRLAND-VWLOTQADSA-N

> <INCHI>
InChI=1S/C31H30O8/c1-15(2)5-7-19-29-16(9-10-31(3,4)39-29)11-21-23(34)14-25(38-30(19)21)26-27(36)20(13-24(35)28(26)37)18-8-6-17(32)12-22(18)33/h5-6,8-13,25,32-33,35-37H,7,14H2,1-4H3/t25-/m0/s1

> <SMILES>
C12C=C3C=CC(C)(C)OC3=C(C/C=C(/C)\C)C=1O[C@H](C1C(O)=C(O)C=C(C3C(O)=CC(O)=CC=3)C=1O)CC2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
73778

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10459657

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2828540

> <CITATION>
7662271

$$$$