LMPR0106010061
  LIPID_MAPS_STRUCTURE_DATABASE

 37 36  0     0  0            999 V2000
    4.5596   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4111   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3126   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1641   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0156   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9173   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7687   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6201   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5217   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3733   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2248   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1263   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9778   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8294   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6807   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5823   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4338   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2854   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1641   -5.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6201   -5.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9778   -8.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4338   -8.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7080   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7080   -5.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1369   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0384   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8900   -7.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7415   -6.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8900   -8.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8349   -7.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557   -6.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310   -8.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6055   -7.3029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7332   -5.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981   -7.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2425   -6.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0958   -8.2777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  4 19  1  0  0  0  0
  8 20  1  0  0  0  0
 13 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 23  2  0  0  0  0
 23 24  1  0  0  0  0
 18 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 23 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 28 33  1  0  0  0  0
 28 34  2  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  END
> <LM_ID>
LMPR0106010061

> <COMMON_NAME>
Acetyl-4,4'-diapolycopene-4,4'-dioate

> <SYSTEMATIC_NAME>
Acetyl-4,4'-diapo-psi,psi-carotene-4,4'-dioic acid

> <FORMULA>
C32H38O5

> <MASS>
502.27

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C30 isoprenoids (triterpenes) [PR0106]

> <CLASS_LEVEL4>
Acyclic triterpenoids [PR010601]

> <SYNONYMS>


> <INCHI_KEY>
XZSHGKKTJFGQGM-SGXYKMMNSA-N

> <INCHI>
InChI=1S/C32H38O5/c1-24(16-10-18-26(3)20-12-22-28(5)31(34)35)14-8-9-15-25(2)17-11-19-27(4)21-13-23-29(6)32(36)37-30(7)33/h8-23H,1-7H3,(H,34,35)/b9-8+,16-10+,17-11+,20-12+,21-13+,24-14+,25-15+,26-18+,27-19+,28-22+,29-23+

> <SMILES>
C(=C(/C(=O)OC(=O)C)\C)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102454761

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
114975

> <CITATION>
22526266

$$$$