LMST02010033
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
   10.1326    8.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    7.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3235    7.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1214    9.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8550    8.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    6.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3105    6.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4512    8.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9696    9.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8550    9.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7831    8.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1809    6.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4512    6.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6161    7.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8072    9.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   10.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3541    8.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6161    6.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7903    8.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1531   10.5809    0.0000 O   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
    6.8126    9.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1661    7.2106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9919    9.0557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8996    7.1864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  1  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
  1 23  1  6  0  0  0
  2 24  1  1  0  0  0
  5 25  1  6  0  0  0
M  END
> <LM_ID>
LMST02010033

> <COMMON_NAME>
2-Methoxyestrone

> <SYSTEMATIC_NAME>
2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one

> <FORMULA>
C19H24O3

> <MASS>
300.17

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WHEUWNKSCXYKBU-QPWUGHHJSA-N

> <INCHI>
InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1

> <SMILES>
[C@]12([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1C=C(C(OC)=CC2=1)O)=O

> <KEGG_ID>
C05299

> <HMDB_ID>
HMDB0000010

> <CHEBI_ID>
1189

> <ABBREVIATION>
ST 19:4;O3

> <CAYMAN_ID>
34155

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
440624

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
11559542

$$$$