LMPK12112004
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   12.0865    8.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865    7.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971    7.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9075    7.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9075    8.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971    9.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8181    7.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7285    7.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7285    8.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8181    9.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8181    6.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6387    9.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5665    8.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4943    9.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4943   10.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5665   10.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6387   10.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6387    7.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0868    9.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971   10.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0868   10.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0868   11.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767   12.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971   12.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2865   10.6895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9147   10.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0726    7.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3320    6.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6109    7.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531    9.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8576    8.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2192    8.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2121    7.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3390    7.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4785    7.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    8.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6251    9.0378    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
  3 18  1  0  0  0  0
  8 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
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 32 38  1  0     0  0
 37 31  1  0     0  0
 31 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  1     0  0
 33 20  1  1     0  0
 34 28  1  6     0  0
 35 29  1  1     0  0
 36 30  1  6     0  0
M  END
> <LM_ID>
LMPK12112004

> <COMMON_NAME>
Icariside I

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H30O11

> <MASS>
530.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IYCPMVXIUPYNHI-WPKKLUCLSA-N

> <INCHI>
InChI=1S/C27H30O11/c1-12(2)4-9-15-17(36-27-24(34)22(32)20(30)18(11-28)37-27)10-16(29)19-21(31)23(33)25(38-26(15)19)13-5-7-14(35-3)8-6-13/h4-8,10,18,20,22,24,27-30,32-34H,9,11H2,1-3H3/t18-,20-,22+,24-,27-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(C/C=C(\C)/C)C2OC(C3C=CC(OC)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5745470

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$