Marvin  07150817132D          

 24 23  0  0  0  0            999 V2000
   -2.1434    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    0.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.1884    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.0013    0.1884    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.5723    1.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -0.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5 24  1  0  0  0  0
 24  7  2  3  0  0  0
  7 18  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 23  1  2  3  0  0  0
  9 23  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 20  1  0  0  0  0
 12 13  1  0  0  0  0
 14  4  1  0  0  0  0
 14  3  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15  6  1  0  0  0  0
  3 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
> <ID>
CHEBI:50277

> <NAME>
farnesyl diphosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14231; CHEBI:24016

> <SYNONYM>
farnesyl diphosphate

> <IUPAC_NAME>
3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate

> <FORMULA>
C15H28O7P2

> <MASS>
382.32614

> <MONOISOTOPIC_MASS>
382.13103

> <CHARGE>
0

> <SMILES>
CC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O

> <INCHI>
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)

> <INCHIKEY>
VWFJDQUYCIWHTN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1892961

> <CAS_REGISTRY_NUMBER>
13058-04-3

> <DRUGBANK_ACCESSION>
DB07780

> <LINCS_ACCESSION>
LSM-36906

> <NIST_CHEMISTRY_WEBBOOK>
13058-04-3

$$$$