LMPK12050421
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    7.7372   10.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7372    9.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6555    9.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5738    9.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5738   10.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6555   11.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4922    9.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4105    9.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4105   10.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4922   11.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8190   11.2236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4922    8.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3289    8.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2020    7.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0746    8.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0746    9.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2020    9.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3289    9.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6555    8.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2020   10.3579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9930    7.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8190    9.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2020    6.7074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0081    9.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    6.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6418    7.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9873   10.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9002   12.2140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9003   14.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6160   15.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779   12.7105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1567   15.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6172   12.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7581   12.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7595   13.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6173   14.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4764   13.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3343   14.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18  8  1  0  0  0  0
  3 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
  2 22  1  0  0  0  0
 14 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 20 27  1  0  0  0  0
 32 38  1  0     0  0
 37 31  1  0     0  0
 31 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  1     0  0
 34 28  1  6     0  0
 35 29  1  1     0  0
 36 30  1  6     0  0
 33  6  1  1     0  0
M  END
> <LM_ID>
LMPK12050421

> <COMMON_NAME>
Dalpaniculin

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O13

> <MASS>
536.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WEXHTLNFLWZFMD-XRUSOFQVSA-N

> <INCHI>
InChI=1S/C25H28O13/c1-33-11-6-13(35-3)12(34-2)5-9(11)10-8-37-23-15(17(10)27)19(29)25(36-4)20(30)16(23)24-22(32)21(31)18(28)14(7-26)38-24/h5-6,8,14,18,21-22,24,26,28-32H,7H2,1-4H3/t14-,18-,21+,22-,24+/m1/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2OC=C(C3C=C(OC)C(OC)=CC=3OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257362

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1357585

> <CITATION>
-

$$$$