LMPR01070437
  LIPID_MAPS_STRUCTURE_DATABASE

 42 41  0     0  0            999 V2000
    6.9555  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8017  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6975  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5436  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3899  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2858  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9780  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8739  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7201  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5662  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4621  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3083  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1544  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0005  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8964  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7426  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5887  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5436   -9.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9780   -9.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3083  -12.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7426  -12.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1094  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2134  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3673  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1094   -9.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6252   -9.6323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4349  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3308  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1769  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0231  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9190  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7651  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6112  -11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5071  -10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1769  -12.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6112  -12.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297  -11.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5338  -12.1443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7597  -10.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
  4 19  1  0     0  0
  8 20  1  0     0  0
 13 21  1  0     0  0
 17 22  1  0     0  0
  1 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 23 28  1  0     0  0
 27 29  1  0     0  0
 18 30  1  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  2  0     0  0
 36 37  1  0     0  0
 32 38  1  0     0  0
 36 39  1  0     0  0
 27 40  1  0     0  0
 26 41  1  0     0  0
 27 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070437

> <COMMON_NAME>
1,2-Dihydroxyphytofluene

> <SYSTEMATIC_NAME>
1,2,7,8,11,12,7',8'-Octahydro-psi,psi-carotene-1,2-diol

> <FORMULA>
C40H64O2

> <MASS>
576.49

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C40 isoprenoids (tetraterpenes) [PR0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LYGOWMNSQUUWMI-NOASVPEQSA-N

> <INCHI>
InChI=1S/C40H64O2/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39(41)40(9,10)42/h11-12,14,18-20,22,24-26,29,39,41-42H,13,15-17,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+

> <SMILES>
C(=C(/C)\CCC(O)C(C)(C)O)/CC/C(/C)=C/CC/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443987

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
91979

> <CITATION>
-

$$$$