LMST01090003
  LIPID_MAPS_STRUCTURE_DATABASE

 41 46  0     0  0            999 V2000
    8.9394    8.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0389    7.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0389    6.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9394    6.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8395    6.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    6.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6404    6.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6404    7.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    8.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8395    7.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    9.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6404   10.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5405    9.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5405    8.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3413    8.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3413    9.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4411   10.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5405   10.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8395    8.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2754    6.4635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6404    8.8483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7203    7.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5405    7.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2418   10.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4411   11.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8399   11.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8544   12.1507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2323   11.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3233   10.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0924   11.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8764   11.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1663   12.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7784   12.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9497   10.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4121    8.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7364    7.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7364    7.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0110    9.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8552    6.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8055   11.8823    0.0000 O   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  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
  3 20  1  6  0  0  0
  8 21  1  1  0  0  0
  9 22  1  6  0  0  0
 14 23  1  6  0  0  0
 16 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  1  6  0  0  0
 28 27  1  1  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 31 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 24  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 30 34  1  1  0  0  0
  2 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 11 39  1  1  0  0  0
  5 40  1  6  0  0  0
 25 41  1  1  0  0  0
M  END
> <LM_ID>
LMST01090003

> <COMMON_NAME>
Hippurin-1

> <SYSTEMATIC_NAME>
(22R)-1alpha-acetoxy-24S-methyl-5alpha-furospirostan-3alpha,11beta,20R-triol

> <FORMULA>
C30H48O7

> <MASS>
520.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Furospirostanols and derivatives [ST0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HRJBSUKSBJIMML-DVPIGBGPSA-N

> <INCHI>
InChI=1S/C30H48O7/c1-15-12-30(37-26(15,3)4)29(7,34)25-22(36-30)11-19-18-9-8-17-10-20(32)23(35-16(2)31)14-27(17,5)24(18)21(33)13-28(19,25)6/h15,17-25,32-34H,8-14H2,1-7H3/t15-,17-,18-,19-,20-,21-,22-,23+,24+,25-,27-,28-,29+,30+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@H]5[C@@](O)([C@@]6(O[C@H]5C[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@H](O)[C@@H]1OC(C)=O)C[C@H](C)C(C)(C)O6)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168377

> <ABBREVIATION>
ST 30:3;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11504572

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1074818

> <CITATION>
-

$$$$