LMST01010419
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    6.9085    8.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0303    8.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0303    7.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6650    6.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5430    7.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7867    8.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6650    9.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5430   10.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3857    8.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9819    9.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6650    8.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5430    8.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4213    8.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4213    9.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1420   10.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2638   11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8986   10.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3857   10.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0201   11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3857    9.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2638   10.4379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9085    6.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7867    7.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    6.3917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2727    5.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4178    5.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7867    9.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4213    7.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5076   11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4213   10.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7768   11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8986    9.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1686    6.5849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    6.5849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8033   10.1150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1421    9.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6385   10.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7769   12.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6931    7.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14  8  1  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 11  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 12  5  1  0  0  0  0
  6 23  1  0  0  0  0
  6  1  1  0  0  0  0
 10 20  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
  4  5  1  0  0  0  0
 23 22  1  0  0  0  0
 23  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3 22  1  0  0  0  0
  3  2  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  6  0  0  0
 23 24  1  6  0  0  0
  6 27  1  1  0  0  0
 14 30  1  1  0  0  0
 18 29  1  6  0  0  0
 17 32  1  1  0  0  0
 31 17  1  0  0  0  0
 22 26  1  1  0  0  0
 22 25  1  0  0  0  0
 13 28  1  6  0  0  0
  3 33  1  1     0  0
  5 34  2  0     0  0
  7 35  2  0     0  0
 15 36  2  0     0  0
 31 37  1  0     0  0
 31 38  2  0     0  0
  9 39  1  1     0  0
M  END
> <LM_ID>
LMST01010419

> <COMMON_NAME>
Ganoweberianic acid G

> <SYSTEMATIC_NAME>
25S-3beta,15beta,28-trihydroxy-7,11,23-trioxolanosta-8-en-26-oic acid.

> <FORMULA>
C30H44O7

> <MASS>
516.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AHOONYRTRBKKRD-AFPYZBLESA-N

> <INCHI>
InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21-23,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16+,18-,21+,22+,23-,28+,29-,30+/m1/s1

> <SMILES>
C1C[C@H](O)[C@](C)(C)[C@]2([H])CC(=O)C3=C([C@]21C)C(=O)C[C@]1(C)[C@@]([H])([C@H](C)CC(=O)C[C@@H](C(=O)O)C)C[C@@H](O)[C@]13C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:5;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120249

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
34468

> <CITATION>
33107297

$$$$