LMPR0103090034
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    9.3033    5.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1544    5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    5.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0096    5.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3549    4.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6053    5.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7461    5.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0137    6.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3410    4.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6053    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7077    5.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1626    7.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8321    3.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4604    7.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3073    6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6812    4.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1622    6.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2930    4.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1672    8.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0931   11.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0943   10.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9532    9.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9546    8.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0940    8.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2353    8.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0266   11.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2367    9.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8108   10.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8133    8.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0953    7.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  2  5  1  6     0  0
  3  6  1  0     0  0
  4  7  1  1     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  6 10  1  0     0  0
  7 11  1  6     0  0
  8 12  1  0     0  0
  9 13  2  0     0  0
 10 14  1  0     0  0
 12 15  1  0     0  0
  7  9  1  0     0  0
 14 15  2  0     0  0
  3 16  1  1     0  0
 15 17  1  0     0  0
  3 18  1  6     0  0
  1 18  1  1     0  0
 12 19  1  6     0  0
 22 28  1  1     0  0
 23 29  1  6     0  0
 24 30  1  1     0  0
 21 20  1  6     0  0
 22 21  1  0     0  0
 23 22  1  0     0  0
 24 23  1  0     0  0
 25 24  1  0     0  0
 27 25  1  0     0  0
 21 27  1  0     0  0
 26 20  1  0     0  0
 25 19  1  6     0  0
M  END
> <LM_ID>
LMPR0103090034

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
9beta-hydroxy-11beta,13-dihydro-parthenolide-9-O-beta-D-glucopyranoside

> <FORMULA>
C21H32O9

> <MASS>
428.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Germacrane sesquiterpenoids [PR010309]

> <SYNONYMS>


> <INCHI_KEY>
HAIUWTQIMLYRIO-XNSZVRSOSA-N

> <INCHI>
InChI=1S/C21H32O9/c1-9-5-4-6-21(3)18(30-21)17-11(10(2)19(26)29-17)7-12(9)27-20-16(25)15(24)14(23)13(8-22)28-20/h5,10-18,20,22-25H,4,6-8H2,1-3H3/b9-5+/t10-,11-,12+,13+,14+,15-,16+,17-,18-,20+,21+/m0/s1

> <SMILES>
[C@@H]12O[C@]1(C)CCC=C(C)[C@H](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C[C@H]1[C@@H](C(=O)O[C@H]21)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119161

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
73976

> <CITATION>
31542956

$$$$