LMPK12100020
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.3018   10.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1781   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0541   10.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0541    9.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9628    9.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8713    9.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8713   10.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9628   11.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3018    9.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1781    9.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9628    8.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0916    7.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0916    6.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9628    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8339    6.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8339    7.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792   11.2185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1781    8.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500    9.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4257    9.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8053    9.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8053    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1781   12.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0523   12.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3040   12.7163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0523   13.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9247   14.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1799   14.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4257   11.1998    0.0000 O   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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 10 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  1 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100020

> <COMMON_NAME>
Mammea A/BA

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-6-(3-methylbut-2-enyl)-8-(3-methylbutyryl)-4-phenylcoumarin

> <FORMULA>
C25H26O5

> <MASS>
406.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SBHOAZQBEGVQLJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O5/c1-14(2)10-11-17-23(28)21-18(16-8-6-5-7-9-16)13-20(27)30-25(21)22(24(17)29)19(26)12-15(3)4/h5-10,13,15,28-29H,11-12H2,1-4H3

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(O)C2C(C3C=CC=CC=3)=CC(=O)OC=2C=1C(=O)CC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030779

> <CHEBI_ID>
69992

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5748555

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 198777

> <CITATION>
-

$$$$