LMPK12110929
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
   10.5096    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5096   10.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435   10.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3756    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2416    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2416   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3755   10.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1076   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9736   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8396   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8396   11.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9736   12.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1076   11.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3756    7.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775   10.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435    7.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7057   12.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9736    9.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1076    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1076    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9737    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9737    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8396    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9115   10.5605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455   10.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9115    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7034   11.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9736   13.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435   11.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775   12.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775   13.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9115   13.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6435   13.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3 17  2  0  0  0  0
 16  4  2  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  5 15  2  0  0  0  0
 17 16  1  0  0  0  0
  4 18  1  0  0  0  0
 12 19  1  0  0  0  0
 10 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 16  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 13 32  1  0  0  0  0
  3 33  1  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
 35 37  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110929

> <COMMON_NAME>
Heterophyllin

> <SYSTEMATIC_NAME>
2-(2,4,5-Trihydroxyphenyl)-3,10-bis(3-methyl-2-butenyl)-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:5,4-b']dipyran-4-one

> <FORMULA>
C30H32O7

> <MASS>
504.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CBYLXVCMCVXUQQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C30H32O7/c1-15(2)7-9-17-25(34)24-26(35)18-11-12-30(5,6)37-28(18)19(10-8-16(3)4)29(24)36-27(17)20-13-22(32)23(33)14-21(20)31/h7-8,11-14,31-33,35H,9-10H2,1-6H3

> <SMILES>
C12C(=O)C(C/C=C(\C)/C)=C(C3C=C(O)C(O)=CC=3O)OC=1C(C/C=C(\C)/C)=C1OC(C)(C)C=CC1=C2O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034660

> <CHEBI_ID>
171988

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14557105

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3489

> <CITATION>
-

$$$$