LMPK12160022
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    8.6078    9.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6078    9.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4569    8.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3058    9.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3058    9.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4569   10.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1549    8.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0040    9.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0040    9.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1549   10.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8530    8.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8530    7.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7609    6.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6686    7.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6686    8.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7609    9.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8530   10.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1549    7.5313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7587   10.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7587    8.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7587    7.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9097    7.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9097    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4569   11.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6078   11.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7587   11.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7783   11.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2685   12.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5177    6.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4569    7.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5473    6.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  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  2  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
  9 17  2  0  0  0  0
  7 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20  2  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
  6 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 19  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 14 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160022

> <COMMON_NAME>
Scandenin

> <SYSTEMATIC_NAME>
4-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-2H,8H-benzo [1,2-b:3,4-b']dipyran-2-one

> <FORMULA>
C26H26O6

> <MASS>
434.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AAKJUGSASOCUFQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)24-20(23(17)30-5)21(28)19(25(29)31-24)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(=O)C(C3=CC=C(O)C=C3)=C(O)C=1C(OC)=C2C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
93435

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54676535

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53864

> <CITATION>
-

$$$$