LMST01010429
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   11.0538    8.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1835    9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0369    7.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3219    8.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1751   10.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1919    7.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0495   10.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3219    7.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4601    9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3134    9.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1751    6.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4601    7.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6111    8.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6111    7.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7365    9.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323    7.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1751    8.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3134    6.7742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8995    8.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4893    9.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9561   10.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9561   11.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9518    9.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9518    8.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7647   11.2421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9061   10.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6342   11.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4982   12.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9061   11.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0422   12.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7701   12.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7701   13.0960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2263   12.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3623   10.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3623   11.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9061   12.5994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569   10.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  6  0  0  0
  3  6  1  0  0  0  0
 21  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  1  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  1  0  0  0
 13 14  1  0  0  0  0
 14 16  1  1  0  0  0
 26 21  1  0  0  0  0
 21 23  1  0  0  0  0
 23 19  1  0  0  0  0
 26 20  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  1  0  0  0
 23 24  1  6  0  0  0
 26 25  1  6  0  0  0
 26 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 35  1  0  0  0  0
 29 30  1  6  0  0  0
 31 32  1  6  0  0  0
 35 33  1  0  0  0  0
 35 34  1  0  0  0  0
 29 36  1  0     0  0
  9 37  1  1     0  0
M  END
> <LM_ID>
LMST01010429

> <COMMON_NAME>
Zoanthusterone

> <SYSTEMATIC_NAME>
1beta,2beta,3beta,14alpha,20R,22R-hexahydroxy-5beta-cholest-7-en-6-one

> <FORMULA>
C27H44O7

> <MASS>
480.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IWDRHBXSOJSTLO-QEKQCLLNSA-N

> <INCHI>
InChI=1S/C27H44O7/c1-14(2)6-7-21(30)26(5,33)20-9-11-27(34)16-12-18(28)17-13-19(29)22(31)23(32)25(17,4)15(16)8-10-24(20,27)3/h12,14-15,17,19-23,29-34H,6-11,13H2,1-5H3/t15-,17-,19+,20-,21+,22+,23+,24+,25+,26+,27+/m0/s1

> <SMILES>
C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)[C@@H](O)[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(C)[C@H](O)CCC(C)C)[H])=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11070877

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
105401

> <CITATION>
26988299

$$$$