CDK    9/10/12,15:49

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.8333   -5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4042   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9458   -6.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3083   -6.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -6.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7500   -6.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -5.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1625   -5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -5.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750   -5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042   -5.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1208   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8333   -5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -5.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1250   -6.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5458   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6875   -5.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9750   -5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6958   -6.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5458   -5.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2583   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542   -6.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 19  1  0  0  0  0 
  3  6  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  2  2  0  0  0  0 
  6  1  2  0  0  0  0 
  7  1  1  0  0  0  0 
  8  2  1  0  0  0  0 
  9 12  2  0  0  0  0 
 10  8  2  0  0  0  0 
 11  7  2  0  0  0  0 
 12 16  1  0  0  0  0 
 13  9  1  0  0  0  0 
 14 13  1  0  0  0  0 
 15 14  1  0  0  0  0 
 16 18  1  0  0  0  0 
 14 17  1  1  0  0  0 
 18  1  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 23  1  0  0  0  0 
 21  9  1  0  0  0  0 
 22 15  1  0  0  0  0 
 23 22  1  0  0  0  0 
 22 24  1  6  0  0  0 
 11  3  1  0  0  0  0 
 10  4  1  0  0  0  0 
M  END
> <ID>
CHEBI:67726

> <NAME>
Furospongin-1

> <DEFINITION>
A natural product found in Spongia officinalis. 

> <STAR>
2

> <SYNONYM>
(E,6R,8S)-1,11-bis(furan-3-yl)-4,8-dimethylundec-3-en-6-ol

> <FORMULA>
C21H30O3

> <MASS>
330.46110

> <MONOISOTOPIC_MASS>
330.21949

> <CHARGE>
0

> <SMILES>
C[C@@H](CCCc1ccoc1)C[C@@H](O)C\C(C)=C\CCc1ccoc1

> <INCHI>
InChI=1S/C21H30O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,15-16,18,21-22H,3-4,6-8,13-14H2,1-2H3/b17-5+/t18-,21-/m0/s1

> <INCHIKEY>
SFDYMPBPKHWFDV-MQPQBDNESA-N

> <CAS_REGISTRY_NUMBER>
35075-74-2

> <CHEMIDPLUS>
35075-74-2

> <PUBMED_CITATION>
21548580

$$$$