LMPK12120500
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0  0  0  0  0  0  0  0999 V2000
   12.0404    7.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0404    6.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7446    6.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4487    6.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4487    7.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7446    7.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6060    6.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3101    6.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9021    6.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1921    6.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9021    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1921    7.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925    7.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7930    7.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7930    6.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925    6.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925    5.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925    8.5002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7930    8.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    8.5002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0934    7.6925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7850    9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160    8.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4060    8.9245    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9780    8.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0041    7.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6699    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7910    8.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5765    9.5611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3140    8.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7965    8.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0936    6.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3957    6.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6978    6.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6978    5.2713    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  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 10  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 12  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  1  0  0  0
 20 30  1  1  0  0  0
 18 31  1  6  0  0  0
 15 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120500

> <COMMON_NAME>
3'-Prenylrubranine

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H34O4

> <MASS>
458.25

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FYCUILMSDSLIGD-NLBJBFNFSA-N

> <INCHI>
InChI=1S/C30H34O4/c1-18(2)11-13-20-26(32)25(23(31)14-12-19-9-7-6-8-10-19)28-24-21-17-30(5,34-27(20)24)16-15-22(21)29(3,4)33-28/h6-12,14,21-22,32H,13,15-17H2,1-5H3/b14-12+/t21-,22-,30+/m0/s1

> <SMILES>
C1=CC=CC=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/C)C2O[C@]3(C)CC[C@]4([H])C(C)(C)OC=1C=2[C@@]4([H])C3

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607682

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$