LMST02010027
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0     0  0            999 V2000
    7.5824    7.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5824    6.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4304    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2768    6.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2768    7.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4304    8.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9716    6.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9716    7.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249    8.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8164    8.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8164    9.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9716    9.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249    9.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6614    9.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5077    9.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5077    8.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6614   10.7647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8164   10.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1249    7.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8164    7.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9716    8.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8408    8.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  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
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
  2 18  1  0  0  0  0
 12 20  1  1  0  0  0
 15 19  1  1  0  0  0
 10 21  1  6  0  0  0
 11 22  1  6  0  0  0
  9 23  1  1  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMST02010027

> <COMMON_NAME>
2-hydroxyestradiol

> <SYSTEMATIC_NAME>
estra-1,3,5(10)-triene-2,3,17beta-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>


> <INCHI_KEY>
DILDHNKDVHLEQB-XSSYPUMDSA-N

> <INCHI>
InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1

> <SMILES>
C1(O)=CC2[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC=2C=C1O

> <KEGG_ID>
C05301

> <HMDB_ID>
HMDB0000338

> <CHEBI_ID>
28744

> <ABBREVIATION>
ST 18:3;O3

> <CAYMAN_ID>
13019

> <SWISSLIPIDS_ID>
SLM:000485705

> <PUBCHEM_COMPOUND_ID>
247304

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
233681

$$$$