LMPR0103050006
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
   12.0183    8.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8864    7.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6229    9.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4910    8.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3591    9.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3591   10.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2274    8.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3591    7.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2274    7.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0956    7.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4173    8.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8864    9.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8716   10.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0183    7.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6229    7.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7545    7.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7679    8.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7545    8.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6229    8.4228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500    7.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1359    5.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3953    4.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6742    5.4434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4164    7.4326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209    6.8029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824    6.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2753    5.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4022    5.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5418    5.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5489    6.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6884    7.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 18  1  0  0  0  0
  1 14  1  0  0  0  0
 14  2  1  0  0  0  0
  2 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 14 20  1  1  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
  1 12  1  0  0  0  0
 18 19  1  6  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 26 20  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
M  END
> <LM_ID>
LMPR0103050006

> <COMMON_NAME>
dihydrophaseic acid 4-O-beta-D-glucoside

> <SYSTEMATIC_NAME>
(2Z,4E)-5-[(1R,3S,5R,8S)-3-(beta-D-glucopyranosyloxy)-8-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid

> <FORMULA>
C21H32O10

> <MASS>
444.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cyclofarnesane sesquiterpenoids [PR010305]

> <SYNONYMS>


> <INCHI_KEY>
UHHVHDDICOEBTQ-WTZDRGJSSA-N

> <INCHI>
InChI=1S/C21H32O10/c1-11(6-14(23)24)4-5-21(28)19(2)7-12(8-20(21,3)29-10-19)30-18-17(27)16(26)15(25)13(9-22)31-18/h4-6,12-13,15-18,22,25-28H,7-10H2,1-3H3,(H,23,24)/b5-4+,11-6-/t12-,13+,15+,16-,17+,18+,19+,20+,21-/m0/s1

> <SMILES>
C1[C@]2(C)CO[C@@](C)([C@]2(O)/C=C/C(/C)=C\C(O)=O)C[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
23758

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56940674

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$