LMPK12111710
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    8.6342   -5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6342   -6.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4943   -7.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3545   -6.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3545   -5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4943   -5.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2147   -7.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0748   -6.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0748   -5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2147   -5.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9347   -5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8114   -5.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6881   -5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6881   -4.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8114   -3.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9347   -4.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4943   -8.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9347   -7.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5913   -3.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7743   -5.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4943   -4.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6345   -3.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6345   -2.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7746   -2.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4943   -2.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2147   -8.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7856   -8.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496  -10.3015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2652  -11.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732   -8.9829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0179   -8.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9432   -8.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0242   -9.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1819  -10.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2566  -10.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4142  -10.5811    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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
  3 17  1  0  0  0  0
  8 18  1  0  0  0  0
 14 19  1  0  0  0  0
  1 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
  7 26  2  0  0  0  0
 35 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  6     0  0
 31 18  1  1     0  0
 32 27  1  6     0  0
 33 28  1  6     0  0
 34 29  1  1     0  0
M  END
> <LM_ID>
LMPK12111710

> <COMMON_NAME>
Ikarisoside A

> <SYSTEMATIC_NAME>
3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C26H28O10

> <MASS>
500.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RPLMLWBOUPDPQF-GULSFEPBSA-N

> <INCHI>
InChI=1S/C26H28O10/c1-11(2)4-9-15-16(28)10-17(29)18-20(31)25(36-26-22(33)21(32)19(30)12(3)34-26)23(35-24(15)18)13-5-7-14(27)8-6-13/h4-8,10,12,19,21-22,26-30,32-33H,9H2,1-3H3/t12-,19-,21+,22+,26-/m0/s1

> <SMILES>
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481982

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 253615

> <CITATION>
-

$$$$