LMPR01040120
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    9.4261    9.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5924    9.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2418    9.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4261    8.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2418    8.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7497    9.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5685   10.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2449   10.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5879    7.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0652   10.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453    8.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9069    9.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7405   10.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4069   11.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9760   10.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9069    7.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0686    9.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0686    8.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3735    6.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5879    8.9205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7405    7.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0915    6.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1562    7.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9056    6.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7485   11.6980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  8  3  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  6  0  0  0
 16 19  1  1  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 17 18  1  0  0  0  0
  2 20  1  1  0  0  0
 11 21  1  1  0  0  0
 23 22  2  0  0  0  0
 23 24  1  0  0  0  0
  8 25  1  6     0  0
M  END
> <LM_ID>
LMPR01040120

> <COMMON_NAME>
Steviol

> <SYSTEMATIC_NAME>
Kaur-16-en-18-oic acid

> <FORMULA>
C20H30O3

> <MASS>
318.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QFVOYBUQQBFCRH-VQSWZGCSSA-N

> <INCHI>
InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m0/s1

> <SMILES>
[C@@]123CC([C@](O)(CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CC2)C3)=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
145024

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
452967

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
55670

> <CITATION>
23713723

$$$$