LMFA13010057
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0  0  0  0            999 V2000
   -3.2188    1.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2037    0.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4820    0.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7739    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0537    0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9116    0.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0525    2.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5095    1.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6536    0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340    0.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797    0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9767    1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905    1.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5197    2.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448   -0.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5416   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0206   -2.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7643   -0.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782   -0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0978    0.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9116    0.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6889   -1.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -0.9079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555   -1.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510   -2.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <LM_ID>
LMFA13010057

> <COMMON_NAME>
(3S,5R,6S,7E,9x)-7-Megastigmene-3,6,9-triol 9-glucoside

> <SYSTEMATIC_NAME>
2-{[(3E)-4-(1,4-dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <FORMULA>
C19H34O8

> <MASS>
390.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Fatty acyl glycosides of mono- and disaccharides [FA1301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MRPDHXXPDCVBPQ-AATRIKPKSA-N

> <INCHI>
InChI=1S/C19H34O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+

> <SMILES>
C1C(C(O)(/C=C/C(OC2OC(C(C(O)C2O)O)CO)C)C(C)CC1O)(C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0041176

> <CHEBI_ID>
172625

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16745401

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$