Marvin  09190617202D          

 18 19  0  0  0  0            999 V2000
   -0.7806    0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7806   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3832   -0.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3832    0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412    0.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951   -0.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661    0.5586    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0661    1.3836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661   -0.2664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0661   -1.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2096   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9914   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5789   -0.7807    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1664   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5789    1.0730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9914    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1664    1.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  7  3  2  0  0  0  0
  3 10  1  0  0  0  0
 16  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 14  1  0  0  0  0
 16  5  1  0  0  0  0
 14  4  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  8  9  1  6  0  0  0
 10 11  1  6  0  0  0
  7 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  6  0  0  0
 16 17  1  1  0  0  0
M  END
> <ID>
CHEBI:5719

> <NAME>
himachalol

> <STAR>
3

> <SYNONYM>
Himachalol

> <IUPAC_NAME>
11alpha-himachal-4-en-11-ol

> <FORMULA>
C15H26O

> <MASS>
222.36634

> <MONOISOTOPIC_MASS>
222.19837

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCC(C)=C[C@]1([H])C(C)(C)CCC[C@@]2(C)O

> <INCHI>
InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3/t12-,13+,15-/m1/s1

> <INCHIKEY>
BBAMLNIPVMLTSQ-VNHYZAJKSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5735569

> <CAS_REGISTRY_NUMBER>
1891-45-8

> <CHEMIDPLUS>
1891-45-8

> <KEGG_COMPOUND_ACCESSION>
C09682

> <KNAPSACK_ACCESSION>
C00003145

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPR0103480003

> <NIST_CHEMISTRY_WEBBOOK>
1891-45-8

$$$$