LMPR0106150021
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.2689    7.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.3744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9833    5.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    7.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9833    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4124    5.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    7.1994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4124    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    7.6120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8413    8.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    8.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4124    8.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    7.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    8.4369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9846    8.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    9.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702   10.0869    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5557    9.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5708    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3958    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    8.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    8.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    6.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    8.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8577   10.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6827   10.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702   11.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5077   10.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    6.3744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6979    5.5494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    8.8494    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8412    9.2619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 32  1  0  0  0  0
 32  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
 32  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 34 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 34  1  0  0  0  0
  2 21  1  1  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  1  0  0  0
  8 25  1  1  0  0  0
 10 26  1  6  0  0  0
 16 27  1  1  0  0  0
 19 28  1  6  0  0  0
 19 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  6  0  0  0
 34 35  1  1  0  0  0
M  END
> <LM_ID>
LMPR0106150021

> <COMMON_NAME>
9(11)-Dehydroglycyrrhetic acid

> <SYSTEMATIC_NAME>
3beta-Hydroxy-9(11),12-oleandien-30-oic acid

> <FORMULA>
C30H46O3

> <MASS>
454.34

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Oleanane triterpenoids [PR010615]

> <SYNONYMS>


> <INCHI_KEY>
DPWVNICGMWYCAP-KVIBWAOPSA-N

> <INCHI>
InChI=1S/C30H46O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23-,26+,27-,28-,29+,30+/m0/s1

> <SMILES>
C1C[C@]2(C)C3=CC=C4[C@]5([H])C[C@](C(O)=O)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB35251

> <CHEBI_ID>
168538

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25566774

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$