LMPR0102070035
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.2092    7.6695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3814    7.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6784    7.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3771    6.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9639    7.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6637    5.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0831    5.8081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9566    6.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    7.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6595    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2463    5.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5047    8.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5047    9.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2111    8.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7288    8.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2111   10.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7288    9.9636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9177    8.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2561    9.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0224    8.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9177    9.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2111   10.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4978    8.0766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4978   10.5292    0.0000 H   0  0  0  0  0  0  0  0  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
  3  5  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
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  1  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 13 24  1  1  0  0  0
 14 25  1  1  0  0  0
 15  1  1  1  0  0  0
M  END
> <LM_ID>
LMPR0102070035

> <COMMON_NAME>
Iridodial glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H26O7

> <MASS>
330.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

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

> <SYNONYMS>


> <INCHI_KEY>
UKWQRDBDDIGHEQ-MDHPXLNESA-N

> <INCHI>
InChI=1S/C16H26O7/c1-7-3-4-9-8(2)6-21-15(11(7)9)23-16-14(20)13(19)12(18)10(5-17)22-16/h6-7,9-20H,3-5H2,1-2H3/t7-,9+,10+,11+,12+,13-,14+,15-,16-/m0/s1

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

> <KEGG_ID>
C11670

> <HMDB_ID>
-

> <CHEBI_ID>
5965

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443351

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$