KEGG   COMPOUND: C17062Help
Entry
C17062                      Compound                               

Name
Safranal
Formula
C10H14O
Exact mass
150.1045
Mol weight
150.2176
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00999  Biosynthesis of secondary metabolites - unclassified
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Apocarotenoids
    C17062  Safranal
BRITE hierarchy
Other DBs
CAS: 116-26-7
PubChem: 96023540
ChEBI: 53169
ChEMBL: CHEMBL3183495
KNApSAcK: C00035737
NIKKAJI: J5.278G
LinkDB All DBs
KCF data Show

ATOM        11
            1   C1x C    31.9900  -18.2000
            2   C2x C    31.9900  -19.6000
            3   C2x C    33.2024  -20.3000
            4   C2y C    34.4149  -19.6000
            5   C2y C    34.4149  -18.2000
            6   C1z C    33.2024  -17.5000
            7   C1a C    33.9024  -16.2876
            8   C1a C    32.5024  -16.2876
            9   C4a C    35.6460  -17.4890
            10  C1a C    35.6460  -20.3110
            11  O4a O    36.8584  -18.1890
BOND        11
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     6   7 1
            8     6   8 1
            9     5   9 1
            10    4  10 1
            11    9  11 2

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