LMPK12112289
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
   11.2383    7.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2264    8.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0998    7.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9649    7.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9551    8.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0853    9.4241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6835    8.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8200    9.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3651    9.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4989    8.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    7.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3749    7.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5464    9.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5023   10.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6141   10.9767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7977   10.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3749    6.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0998    6.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8297    7.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6340    9.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3671   11.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    7.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6141   11.9748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4111    8.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2876    9.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1334    9.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1334    8.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0208    9.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7845    7.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9051    7.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9051    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  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  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  2  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  1  2  0  0  0  0
  7 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  8  2  0  0  0  0
 12 17  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  1  0  0  0  0
 10 20  1  0  0  0  0
 21 14  1  0  0  0  0
 11 22  1  0  0  0  0
 15 23  1  0  0  0  0
 13 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
 22 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112289

> <COMMON_NAME>
Broussonol E

> <SYSTEMATIC_NAME>
2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-3,5,7-trihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C25H26O7

> <MASS>
438.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Papyriflavonol A

> <INCHI_KEY>
NQBROFAEMRVICP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O7/c1-12(2)5-7-14-9-15(10-18(27)21(14)28)25-24(31)23(30)20-19(32-25)11-17(26)16(22(20)29)8-6-13(3)4/h5-6,9-11,26-29,31H,7-8H2,1-4H3

> <SMILES>
C12=C(O)C(C/C=C(/C)\C)=C(O)C=C1OC(C1=CC(O)=C(O)C(C/C=C(/C)\C)=C1)=C(O)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66727

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10343070

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 66380

> <CITATION>
11575957

$$$$