LMPR0102070038
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    9.4418   10.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418   11.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2310   10.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5600   10.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2310   12.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5643   11.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2184    8.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0329   10.7978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0269   11.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0329   11.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2268   13.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    8.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1118   11.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0202   13.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4334   13.5392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    8.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    7.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7876    8.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    6.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1680    6.8683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7876    7.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0026    8.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    5.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0026    6.8683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3056    8.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418    9.8827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418   12.6325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2026    9.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    6.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8997    5.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8997    7.8514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0350    5.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6026    6.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0351    7.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6027    8.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7379    8.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3055    7.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7378    6.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3056    9.8178    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
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  1     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  2  0     0  0
  5 11  1  0     0  0
 12  7  1  1     0  0
  9 13  1  1     0  0
 11 14  1  0     0  0
 11 15  2  0     0  0
 12 16  1  0     0  0
 12 17  1  0     0  0
 16 18  1  0     0  0
 17 19  1  0     0  0
 17 20  1  6     0  0
 18 21  1  0     0  0
 18 22  1  1     0  0
 19 23  1  1     0  0
 21 24  1  6     0  0
 22 25  1  0     0  0
  6  9  1  0     0  0
  8 10  1  0     0  0
 19 21  1  0     0  0
  1 26  1  1     0  0
  2 27  1  1     0  0
  4 28  2  0     0  0
 20 29  1  0     0  0
 29 30  1  0     0  0
 29 31  2  0     0  0
 30 32  2  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  2  0     0  0
 35 36  1  0     0  0
 36 37  2  0     0  0
 37 38  1  0     0  0
 38 33  2  0     0  0
 36 39  1  0     0  0
M  END
> <LM_ID>
LMPR0102070038

> <COMMON_NAME>
2'-O-cis-coumaroylgardoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O12

> <MASS>
520.16

> <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>
QPNFBUARICHXGG-LHDFCRTISA-N

> <INCHI>
InChI=1S/C25H28O12/c1-11-16(28)8-14-15(23(32)33)10-34-24(19(11)14)37-25-22(21(31)20(30)17(9-26)35-25)36-18(29)7-4-12-2-5-13(27)6-3-12/h2-7,10,14,16-17,19-22,24-28,30-31H,1,8-9H2,(H,32,33)/b7-4-/t14-,16+,17-,19-,20-,21+,22-,24+,25+/m1/s1

> <SMILES>
[C@@]12([H])C(=C)[C@H](C[C@]1([H])C(C(=O)O)=CO[C@H]2O[C@H]1[C@H](OC(=O)/C=C\C2=CC=C(O)C=C2)[C@H]([C@H](O)[C@@H](CO)O1)O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118933

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
114476

> <CITATION>
32594764

$$$$