LMPR01070190
  LIPID_MAPS_STRUCTURE_DATABASE

 44 44  0     0  0            999 V2000
    9.4972    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3675    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2378    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1082    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9786    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8489    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7191    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5895    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4599    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3302    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2005    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0709    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9412    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8116    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6820    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5523    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4225    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2930    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1634    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0336    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1082   10.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5895   10.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9412    8.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4225    8.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6338    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7704    9.0132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6338    7.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4972    8.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8969    9.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7534    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3570    7.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7739   10.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4937   10.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8969    8.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6132    9.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4730    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3330    9.0202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3330    8.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1928    9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1928    8.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4730   10.5092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9106    7.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7704    8.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6338    6.5247    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
 27 28  1  0  0  0  0
 28  1  2  0  0  0  0
 29 20  2  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 25 32  1  0  0  0  0
 25 33  1  0  0  0  0
 29 34  1  0  0  0  0
 30 35  2  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
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
 36 41  1  0  0  0  0
 26 43  1  0  0  0  0
 43 27  1  0  0  0  0
 43 42  1  0  0  0  0
 27 44  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070190

> <COMMON_NAME>
4-Hydroxymyxol

> <SYSTEMATIC_NAME>
(3R,2'S)-3',4'-Didehydro-1',2'-dihydro-beta,psi-carotene-3,4,1',2'-tetrol

> <FORMULA>
C40H56O4

> <MASS>
600.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-OH-myxol; Aphanizophyll

> <INCHI_KEY>
BOVRCQYBOHNUIF-YRNCWOPMSA-N

> <INCHI>
InChI=1S/C40H56O4/c1-29(18-13-20-31(3)21-15-23-33(5)25-27-37(42)40(9,10)44)16-11-12-17-30(2)19-14-22-32(4)24-26-35-34(6)38(43)36(41)28-39(35,7)8/h11-27,36-38,41-44H,28H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,29-16+,30-17+,31-20+,32-22+,33-23+

> <SMILES>
C1(=C(C)C(O)C(O)CC1(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=C/C(O)C(C)(C)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061296

> <LIPIDBANK_ID>
VCA1108

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1176

> <CITATION>
-

$$$$