LMST02010049
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0     0  0            999 V2000
   10.9203    7.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9149    9.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0694    9.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0780    8.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7695    9.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7660    8.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4571    8.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4607    9.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167    9.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7386   10.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6063   10.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377    7.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2377    6.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0780    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9203    6.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026    8.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5675    7.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5675    6.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4026    6.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0780    7.3287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7660    7.3374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9203    8.7876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3020    9.7658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  5 10  1  1  0  0  0
  9 11  1  6  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  1  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 18 20  1  0  0  0  0
  4 21  1  6  0  0  0
  6 22  1  6  0  0  0
  1 23  1  1  0  0  0
  8 24  1  6  0  0  0
M  END
> <LM_ID>
LMST02010049

> <COMMON_NAME>
17-Epiestriol

> <SYSTEMATIC_NAME>
Estra-1,3,5(10)-triene-3,16alpha,17alpha-triol

> <FORMULA>
C18H24O3

> <MASS>
288.17

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C18 steroids (estrogens) and derivatives [ST0201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
16alpha-hydroxy-17alpha-Estradiol; 16alpha,17alpha-Estriol

> <INCHI_KEY>
PROQIPRRNZUXQM-PNVOZDDCSA-N

> <INCHI>
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1

> <SMILES>
[C@@]12([H])CCC3C=C(O)C=CC=3[C@@]1([H])CC[C@]1(C)[C@H](O)[C@H](O)C[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
HMDB00356

> <CHEBI_ID>
42156

> <ABBREVIATION>
ST 18:3;O3

> <CAYMAN_ID>
33601

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
256737

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
4368890

$$$$