LMPR01070049
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    6.0606    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7836    6.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7836    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7836    8.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6493    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6493    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5094    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3720    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2349    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0978    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9609    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8236    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6864    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5492    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4121    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2751    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1380    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0007    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8636    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7265    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5894    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4523    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3150    7.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3720    9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8236    9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1380    6.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5894    6.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1779    8.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0408    7.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1779    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1768    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4848   10.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6745   11.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8645   10.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6745   12.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1791    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1755    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4349    8.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 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
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 12 28  1  0  0  0  0
 16 29  1  0  0  0  0
 21 30  1  0  0  0  0
 25 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 32  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 34 38  1  0  0  0  0
 37 39  1  1  0  0  0
 34 40  1  1  0  0  0
 35 41  1  0  0  0  0
 35 42  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070049

> <COMMON_NAME>
Cryptocapsin

> <SYSTEMATIC_NAME>
(3'S,5'R)-3'-Hydroxy-beta,kappa-caroten-6'-one

> <FORMULA>
C40H56O2

> <MASS>
568.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ITZNDVRDABSNRE-VUWSZMCHSA-N

> <INCHI>
InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-27-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-26-37(42)40(10)29-35(41)28-39(40,8)9/h11-14,16-21,23-26,35,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t35-,40-/m0/s1

> <SMILES>
C1C(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@]2(C)C[C@@H](O)CC2(C)C)=O)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
176096

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14515709

> <LIPIDBANK_ID>
VCA0047

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4072

> <CITATION>
-

$$$$