LMST02030269
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
   12.8678   -2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0055   -2.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8588   -1.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8204   -2.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1411   -2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0055   -3.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8115   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0055   -0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5744   -0.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3893   -1.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2809   -2.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1411   -1.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1411   -4.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5924    0.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6265   -0.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2899   -3.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4119   -2.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2809   -1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2809   -0.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3283    0.9407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6420    0.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4255   -4.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5494   -2.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5585   -3.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735   -4.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8790   -3.0299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0055   -1.5401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1411   -3.0480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4335    1.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1467   -5.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  3  9  1  1     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  7 14  1  1     0  0
  7 15  1  6     0  0
 11 16  1  0     0  0
 11 17  1  0     0  0
 11 18  1  1     0  0
 12 19  1  1     0  0
 14 20  2  0     0  0
 14 21  1  0     0  0
 16 22  2  0     0  0
 17 23  1  0     0  0
 22 24  1  0     0  0
 24 25  2  0     0  0
  7 10  1  0     0  0
  8 12  1  0     0  0
 13 16  1  0     0  0
 23 24  1  0     0  0
  1 26  1  6     0  0
  2 27  1  1     0  0
  5 28  1  6     0  0
 21 29  1  0     0  0
 13 30  1  1     0  0
M  END
> <LM_ID>
LMST02030269

> <COMMON_NAME>
6beta-Hydroxycortisol

> <SYSTEMATIC_NAME>
6beta,11beta,17alpha,21-Tetrahydroxypregn-4-en-3,20-dione

> <FORMULA>
C21H30O6

> <MASS>
378.20

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-pregnene-6beta,11beta,17alpha,21-tetrol-3,20-dione

> <INCHI_KEY>
GNFTWPCIRXSCQF-UJXAPRPESA-N

> <INCHI>
InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,16-,18+,19-,20-,21-/m0/s1

> <SMILES>
[C@@]12([H])CC[C@](O)(C(CO)=O)[C@@]1(C)C[C@H](O)[C@]1([H])[C@@]3(C)CCC(=O)C=C3[C@H](O)C[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
139271

> <ABBREVIATION>
ST 21:3;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6852390

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
13208304

$$$$