LMPR0106010060
  LIPID_MAPS_STRUCTURE_DATABASE

 34 33  0     0  0            999 V2000
   15.2232  -14.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1213  -15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9695  -14.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8176  -15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7158  -14.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5638  -15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4619  -14.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3601  -15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2082  -14.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0563  -15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9544  -14.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8026  -15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6509  -14.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5489  -15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3971  -14.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2453  -15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2453  -16.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8026  -16.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9695  -13.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4619  -13.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3516  -15.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4845  -14.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6174  -15.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7504  -14.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8832  -15.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4845  -13.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1040  -14.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9467  -15.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989  -14.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1376  -15.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9992  -13.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1320  -14.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1082  -13.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8056  -14.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
  7 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 27 33  2  0  0  0  0
 28 34  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106010060

> <COMMON_NAME>
Methyl hydroxy-3,4-dehydro-apo-8'-lycopenoate

> <SYSTEMATIC_NAME>
Methyl 1-hydroxy-3,4-didehydro-1,2-dihydro-8'-apo-psi-caroten-8'-oate

> <FORMULA>
C31H42O3

> <MASS>
462.31

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Acyclic triterpenoids [PR010601]

> <SYNONYMS>


> <INCHI_KEY>
HOFMPCWXVPXFTB-TYVDVHELSA-N

> <INCHI>
InChI=1S/C31H42O3/c1-25(15-9-10-16-26(2)21-13-23-29(5)30(32)34-8)17-11-18-27(3)19-12-20-28(4)22-14-24-31(6,7)33/h9-23,33H,24H2,1-8H3/b10-9+,17-11+,19-12+,21-13+,22-14+,25-15+,26-16+,27-18+,28-20+,29-23+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
46846123

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1570

> <CITATION>
20414323

$$$$