LMPK12112917
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
   12.3738    8.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3738    7.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2868    7.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1997    7.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1997    8.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2868    9.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1127    7.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0255    7.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0255    8.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1127    9.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1127    6.5924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9383    9.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8689    8.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7993    9.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7993   10.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8689   11.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9383   10.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4611    9.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2868    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4627   10.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8689   11.8675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6964    7.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7102    7.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4613    7.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0083    7.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7208    8.5341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9944    9.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0111   11.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6049   11.0300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8118   12.8763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5993   10.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7292    9.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8645   10.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8729   11.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7430   11.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7514   12.5326    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
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
 16 21  1  0  0  0  0
  8 22  1  0  0  0  0
  2 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 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  1     0  0
 31 18  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
M  END
> <LM_ID>
LMPK12112917

> <COMMON_NAME>
Axillaroside

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H24O13

> <MASS>
508.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FIBYVUGPMHIWTD-RODNGKRTSA-N

> <INCHI>
InChI=1S/C23H24O13/c1-32-21-12(35-23-19(31)18(30)15(27)13(7-24)36-23)6-11-14(16(21)28)17(29)22(33-2)20(34-11)8-3-4-9(25)10(26)5-8/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3/t13-,15-,18+,19-,23-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101243893

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$