Mrv0541 01291410192D          

 17 18  0  0  0  0            999 V2000
    6.4642   -1.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7497   -2.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9324   -2.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1787   -2.9552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2650   -3.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4844   -3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -3.9470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1787   -2.1301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7497   -2.1301    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4643   -3.3676    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4643   -4.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352   -1.7176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8932   -1.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8932   -0.8926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8730   -5.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2855   -4.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1104   -4.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  8  1  1  0  0  0  0
  1  9  1  0  0  0  0
  9  2  1  0  0  0  0
  2 10  1  0  0  0  0
  4  3  1  6  0  0  0
  3  6  1  0  0  0  0
  4  5  1  1  0  0  0
  5  7  1  0  0  0  0
  7  6  1  0  0  0  0
  7 16  1  1  0  0  0
  8 13  1  6  0  0  0
  9 12  1  6  0  0  0
 10 11  1  6  0  0  0
 13 14  2  0  0  0  0
 16 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <ID>
CHEBI:27774

> <NAME>
lubimin

> <DEFINITION>
A vetispirane sesquiterpenoid that consists of (2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane bearing a formyl substituent at position 6.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:25077; CHEBI:6551

> <SYNONYM>
Lubimin; (2R,5S,6S,8S,10R)-8-hydroxy-2-isopropenyl-10-methylspiro[4.5]decane-6-carbaldehyde

> <IUPAC_NAME>
(2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carbaldehyde

> <FORMULA>
C15H24O2; C15H24O2

> <MASS>
236.34990

> <MONOISOTOPIC_MASS>
236.17763

> <CHARGE>
0

> <SMILES>
C[C@@H]1C[C@H](O)C[C@H](C=O)[C@]11CC[C@H](C1)C(C)=C

> <INCHI>
InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1

> <INCHIKEY>
CEVNHRPKRNTGKO-ZSAUSMIDSA-N

> <CAS_REGISTRY_NUMBER>
35951-50-9

> <REAXYS_REGISTRY_NUMBER>
2454654

> <CHEMIDPLUS>
35951-50-9

> <KEGG_COMPOUND_ACCESSION>
C09700

> <KNAPSACK_ACCESSION>
C00003163

$$$$