LMPR0103090043
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0  0  0  0  0  0  0  0999 V2000
    7.8219    8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6912    8.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    8.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5645    8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8959    7.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877    8.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9416    7.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3166    7.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5688    9.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9030    6.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877    9.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2987    8.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6995   10.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4045    6.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9611   10.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8260    9.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9631   11.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3284    8.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4397   10.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158    8.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7042   11.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4813   12.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7415   12.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124   12.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8726   12.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4794   11.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3495   12.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  6  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0     0  0
 16 18  1  6     0  0
  9 19  1  1     0  0
 16 20  1  0     0  0
 13 21  1  6     0  0
 23 24  1  0     0  0
 24 22  1  0     0  0
 23 25  2  0     0  0
 22 26  1  0     0  0
 22 27  1  0     0  0
 21 23  1  0     0  0
M  END
> <LM_ID>
LMPR0103090043

> <COMMON_NAME>
Neurolenin C

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O7

> <MASS>
380.18

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Germacrane sesquiterpenoids [PR010309]

> <SYNONYMS>


> <INCHI_KEY>
PBRMNFXOHFGVPZ-HVACLVPVSA-N

> <INCHI>
InChI=1S/C20H28O7/c1-10(2)8-15(22)27-18-17(23)16-12(4)19(24)26-13(16)9-11(3)6-7-14(21)20(18,5)25/h6-7,10-11,13,16-18,23,25H,4,8-9H2,1-3,5H3/b7-6-/t11-,13+,16-,17-,18+,20+/m0/s1

> <SMILES>
C1[C@@H](C)C=CC(=O)[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@@H](O)[C@H]2C(C(=O)O[C@H]12)=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66622

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71306329

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
183055; 183056

> <CITATION>
10479310

$$$$