LMPR0102070007
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
   11.0079    9.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1533    8.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3056    9.3230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1482    7.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4451    8.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2879    7.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9959    7.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4381    7.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5955    9.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2773    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5798    7.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2161   10.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1524   11.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6188   11.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2339   10.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6894    9.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1524   12.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0100   10.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2119   12.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5369   10.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0100   12.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8594   11.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9050   13.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8594   12.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1482   10.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6408   11.7720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1442   13.1108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  6  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  6 10  1  1  0  0  0
  8 11  1  6  0  0  0
  6  8  1  0  0  0  0
  9 12  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  6  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  1  0  0  0
 22 25  2  0  0  0  0
 15 16  1  0  0  0  0
 18 20  1  0  0  0  0
 23 25  1  0  0  0  0
 14 26  1  1  0  0  0
 15 27  1  6  0  0  0
 18 28  1  1  0  0  0
 19  1  1  1  0  0  0
M  END
> <LM_ID>
LMPR0102070007

> <COMMON_NAME>
Catalpol

> <SYSTEMATIC_NAME>
Catalpinoside Catapol De(p-hydroxybenzoyl)catalposide Catalposide, des-p-hydroxybenzoyl- EINECS 219-324-0 UNII-JCX5L7JIC2 JCX5L7JIC2 CHEMBL513223 CHEBI:69797 DTXSID60178850 (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside

> <FORMULA>
C15H22O10

> <MASS>
362.12

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C10 isoprenoids (monoterpenes) [PR0102]

> <CLASS_LEVEL4>
Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]

> <SYNONYMS>
7,8-epoxy Aucubin; Catalpinoside

> <INCHI_KEY>
LHDWRKICQLTVDL-PZYDOOQISA-N

> <INCHI>
InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1

> <SMILES>
O([C@@H]1OC=C[C@@]2([H])[C@H](O)[C@]3([H])O[C@]3(CO)[C@]21[H])[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O

> <KEGG_ID>
C09773

> <HMDB_ID>
-

> <CHEBI_ID>
69797

> <ABBREVIATION>
-

> <CAYMAN_ID>
24925

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
91520

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
155717

> <CITATION>
8073089

$$$$