LMPR01070464
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
    4.9023   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7483   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6440   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4900   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3360   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2317   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0777   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9236   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6653   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5113   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4070   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2530   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0990   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9449   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8407   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6866   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5326   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4900   -6.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9236   -6.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2530   -9.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6866   -9.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0564   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1606   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3147   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0564   -6.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730   -6.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3786   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2743   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1203   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9662   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8620   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7079   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5539   -8.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4496   -7.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1203   -9.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5539   -9.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4223   -8.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730   -8.5629    0.0000 O   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  1  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
 27 41  1  0     0  0
 26 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070464

> <COMMON_NAME>
Phytoene epoxide

> <SYSTEMATIC_NAME>
1,2-Epoxy-1,2,7,8,11,12,7',8',11',12'-decahydro-psi,psi-carotene

> <FORMULA>
C40H64O

> <MASS>
560.50

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BCPVRLMAESAYCE-PTJVDYMASA-N

> <INCHI>
InChI=1S/C40H64O/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)30-31-39-40(9,10)41-39/h11-12,18-20,24-26,29,39H,13-17,21-23,27-28,30-31H2,1-10H3/b12-11+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+

> <SMILES>
C(=C(/C)\CCC1OC1(C)C)/CC/C(/C)=C/CC/C(/C)=C/C=C/C=C(\C)/CC/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>
54758636

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4081

> <CITATION>
-

$$$$