LMPR0106150014
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0     0  0            999 V2000
    8.4922    9.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6235    8.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6235    7.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    7.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609    7.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2854    7.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1540    7.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1540    8.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2854    9.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609    8.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2854   10.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1540   10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0782   10.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0782    9.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9469    8.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8156    9.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8156   10.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9469   10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9469   11.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8156   12.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7400   11.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7400   10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8573    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0493    6.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609    9.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1643    9.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0886    8.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7862    9.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2255   13.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4058   13.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3609    6.8841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2854    8.3877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9469    9.6994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9376   13.9773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2867   13.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4211   10.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 25  1  1  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  5 31  1  6  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  6  0  0  0
  4 24  1  1  0  0  0
  3  2  1  0  0  0  0
 11  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 32  1  6  0  0  0
  7  8  1  0  0  0  0
 14  8  1  0  0  0  0
  8 26  1  1  0  0  0
  7  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 15 14  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  6  0  0  0
 18 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 19 18  1  0  0  0  0
 17 18  1  0  0  0  0
 18 33  1  1  0  0  0
 22 17  1  0  0  0  0
 17 28  1  1  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 20 30  1  1  0  0  0
 20 29  1  6  0  0  0
 21 22  1  0  0  0  0
 34 30  2  0  0  0  0
 35 30  1  0  0  0  0
 36 11  2  0  0  0  0
  3 37  1  1  0  0  0
M  END
> <LM_ID>
LMPR0106150014

> <COMMON_NAME>
Glycyrrhetinic acid

> <SYSTEMATIC_NAME>
3-beta-Hydroxy-11-oxoolean-12-en-30-oic acid

> <FORMULA>
C30H46O4

> <MASS>
470.34

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C30 isoprenoids (triterpenes) [PR0106]

> <CLASS_LEVEL4>
Oleanane triterpenoids [PR010615]

> <SYNONYMS>
Uralenic acid; Enoxolone; glycyrrhetic acid

> <INCHI_KEY>
MPDGHEJMBKOTSU-YKLVYJNSSA-N

> <INCHI>
InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1

> <SMILES>
C1C[C@H](O)[C@@](C)(C)[C@]2([H])CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C)(CC[C@](C)(C(O)=O)C5)CC4)=CC(=O)[C@]3([H])[C@@]12C

> <KEGG_ID>
C02283

> <HMDB_ID>
HMDB11628

> <CHEBI_ID>
30853

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10114

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
49827

> <CITATION>
19914836

$$$$