LMPR0106180024
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
    8.4646    9.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    9.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    8.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    7.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    8.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    9.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968    9.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968    7.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    8.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    9.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627   11.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968   10.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288    9.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288   10.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   11.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    9.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6606    9.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6606   10.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6606   12.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   12.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5268   11.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5268   12.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7576    7.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9646    6.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0164    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7917    7.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    7.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307   10.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968    8.7337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627   10.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288    8.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307   11.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6606   11.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288   12.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6606   13.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288   11.7337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8666    8.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0006    7.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8666    9.2336    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  1  0     0  0
  1  6  1  0     0  0
  7  6  1  0     0  0
  6  5  1  0     0  0
  5  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 13  1  0     0  0
  7 10  1  0     0  0
 12  7  1  0     0  0
 11 12  1  0     0  0
 11 14  2  0     0  0
 15 14  1  0     0  0
 14 13  1  0     0  0
 13 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 21  1  0     0  0
 15 18  1  0     0  0
 20 15  1  0     0  0
 19 20  1  0     0  0
 21 22  1  0     0  0
 19 22  1  0     0  0
  3 23  1  6     0  0
  4 24  1  0     0  0
  4 25  1  6     0  0
 24 26  1  0     0  0
 24 27  2  0     0  0
  5 28  1  6     0  0
  6 29  1  1     0  0
  7 30  1  6     0  0
 10 31  1  1     0  0
 13 32  1  6     0  0
 12 33  2  0     0  0
 18 34  1  1     0  0
 20 35  1  1     0  0
 19 36  1  6     0  0
 15 37  1  1     0  0
 23 38  1  0     0  0
 38 39  1  0     0  0
 38 40  2  0     0  0
M  END
> <LM_ID>
LMPR0106180024

> <COMMON_NAME>
3-O-acetyl-11-keto-beta-boswellic acid

> <SYSTEMATIC_NAME>
(4R)-3alpha-acetoxy-11-oxo-urs-12-en-23-oic acid

> <FORMULA>
C32H48O5

> <MASS>
512.35

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Taraxastane, ursane and bauerane triterpenoids [PR010618]

> <SYNONYMS>


> <INCHI_KEY>
HMMGKOVEOFBCAU-BCDBGHSCSA-N

> <INCHI>
InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1

> <SMILES>
C1[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C(=O)C=C2[C@@]3(C)CC[C@]3(C)[C@@]2([H])[C@@H](C)[C@H](C)CC3)[C@@](C)(C(=O)O)[C@H](OC(=O)C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166842

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11168203

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
613112

> <CITATION>
9619114

$$$$