LMPK12140422
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0  0  0  0            999 V2000
    8.8882   -7.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7488   -8.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6094   -7.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6094   -6.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7488   -6.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8882   -6.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4700   -8.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3306   -7.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3306   -6.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4700   -6.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1902   -6.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4700   -9.2769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732   -6.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9561   -6.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9561   -5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732   -4.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1902   -5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0276   -6.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7488   -9.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8389   -4.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7488   -5.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8890   -4.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0285   -8.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1688   -7.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8389   -6.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7218   -6.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7218   -5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3134   -4.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7352   -5.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1688   -6.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4919   -6.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3296   -7.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8890   -3.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0294   -3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7488   -3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0732   -3.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  4  1  0     0  0
  9 11  1  6     0  0
  7 12  2  0     0  0
 11 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 11  1  0     0  0
  6 18  1  0     0  0
  2 19  1  0     0  0
 20 15  1  0     0  0
  5 21  1  0     0  0
 21 22  1  0     0  0
  1 23  1  0     0  0
 23 24  2  0     0  0
 14 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 20  1  0     0  0
 27 28  1  0     0  0
 27 29  1  0     0  0
 18 30  1  0     0  0
 30 24  1  0     0  0
 30 31  1  0     0  0
 30 32  1  0     0  0
 22 33  2  0     0  0
 33 34  1  0     0  0
 33 35  1  0     0  0
 16 36  1  0     0  0
M  END
> <LM_ID>
LMPK12140422

> <COMMON_NAME>
Amorin

> <SYSTEMATIC_NAME>
(2S)-2-(2,2-Dimethyl-8-hydroxy-2H-1-benzopyran-6-yl)-5-hydroxy-8,8-dimethyl-10-prenyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-4(3H)-one

> <FORMULA>
C30H32O6

> <MASS>
488.22

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HRNLTDFVEVHLFF-QHCPKHFHSA-N

> <INCHI>
InChI=1S/C30H32O6/c1-16(2)7-8-20-27-19(10-12-30(5,6)36-27)25(33)24-21(31)15-23(34-28(20)24)18-13-17-9-11-29(3,4)35-26(17)22(32)14-18/h7,9-14,23,32-33H,8,15H2,1-6H3/t23-/m0/s1

> <SMILES>
C12C=CC(C)(C)OC1=C(C/C=C(\C)/C)C1O[C@H](C3C=C(O)C4OC(C)(C)C=CC=4C=3)CC(=O)C=1C=2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102318110

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 48131

> <CITATION>
-

$$$$