LMPR01070643
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.9527  -11.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527  -12.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6857  -12.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6857  -11.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8191  -11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5700  -11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366  -11.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030  -11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1695  -11.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0361  -11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9025  -11.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7688  -11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6354  -11.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5018  -11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3684  -11.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2348  -11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1013  -11.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9678  -11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7007  -11.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5673  -11.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3188  -10.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194  -10.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5654  -13.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4290  -11.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2810  -11.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1307  -11.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9815  -11.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8480  -11.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8480  -10.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9972   -9.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1307  -10.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4812  -12.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4817  -12.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2487   -9.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5673  -12.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3030  -10.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7688  -10.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0864  -13.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0810  -11.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
  6 23  1  0     0  0
  6 24  1  0     0  0
  4 25  1  0     0  0
 22 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 28 33  2  0     0  0
 29 34  1  0     0  0
 29 35  1  0     0  0
 33 36  1  0     0  0
 22 37  1  0     0  0
 18 38  1  0     0  0
  9 39  1  0     0  0
 13 40  1  0     0  0
  2 41  1  1     0  0
  1 42  1  6     0  0
M  END
> <LM_ID>
LMPR01070643

> <COMMON_NAME>
2,3-Dihydroxy-beta-carotene

> <SYSTEMATIC_NAME>
(2R,3R)-beta,beta-Carotene-2,3-diol

> <FORMULA>
C40H56O2

> <MASS>
568.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RSCRFTMXJDBKHT-RTSSTFQJSA-N

> <INCHI>
InChI=1S/C40H56O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)28-37(41)38(42)40(36,9)10/h11-14,16-21,23-26,37-38,41-42H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-,38+/m1/s1

> <SMILES>
[C@@H]1(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/C2=C(C)CCCC2(C)C)=C(C)C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162923206

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
136996

> <CITATION>
838596

$$$$