LMPR01070206
  LIPID_MAPS_STRUCTURE_DATABASE

 37 37  0  0  0  0  0  0  0  0999 V2000
    7.7850    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5233    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2616    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9999    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8691    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7382    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6072    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4765    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3457    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2148    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0838    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9531    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8223    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6914    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5604    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4297    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2989    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    9.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8691    9.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2148    6.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6914    6.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    8.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    6.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7850    6.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1609    7.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0162    8.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6436    6.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    8.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7816    8.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1609    6.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8747    7.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0162    9.3345    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
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  4 21  1  0  0  0  0
  8 22  1  0  0  0  0
 13 23  1  0  0  0  0
 17 24  1  0  0  0  0
 25  1  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  1  2  0  0  0  0
 30 20  2  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 25 33  1  0  0  0  0
 25 34  1  0  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 31 37  2  0  0  0  0
M  END
> <LM_ID>
LMPR01070206

> <COMMON_NAME>
Neurosporaxanthin

> <SYSTEMATIC_NAME>
4'-Apo-beta,psi-caroten-4'-oic acid

> <FORMULA>
C35H46O2

> <MASS>
498.35

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UGJYMKZYSUMAKJ-ZGMBEONKSA-N

> <INCHI>
InChI=1S/C35H46O2/c1-27(17-11-19-29(3)21-13-22-32(6)34(36)37)15-9-10-16-28(2)18-12-20-30(4)24-25-33-31(5)23-14-26-35(33,7)8/h9-13,15-22,24-25H,14,23,26H2,1-8H3,(H,36,37)/b10-9+,17-11+,18-12+,21-13+,25-24+,27-15+,28-16+,29-19+,30-20+,32-22+

> <SMILES>
C1(=C(C)CCCC1(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>
C08607

> <HMDB_ID>
-

> <CHEBI_ID>
7540

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
637039

> <LIPIDBANK_ID>
VCA1124

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5141

> <CITATION>
5858048

$$$$