KEGG   COMPOUND: C06177Help
Entry
C06177                      Compound                               

Name
Retronecine
Formula
C8H13NO2
Exact mass
155.0946
Mol weight
155.1943
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map01064  Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from ornithine
   Pyrrolizidine alkaloids
    C06177  Retronecine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Pyrrolizidine alkaloids
    C06177  Retronecine
BRITE hierarchy
Other DBs
CAS: 480-85-3
PubChem: 8428
ChEBI: 8821
KNApSAcK: C00002108
3DMET: B01984
NIKKAJI: J12.338B
LinkDB All DBs
KCF data Show

ATOM        11
            1   C1y C    28.2570  -16.8755
            2   N1y N    28.2507  -18.2741
            3   C2y C    29.5848  -16.4501
            4   C1y C    26.9229  -16.4438
            5   C1x C    29.5719  -18.7124
            6   C1x C    26.9229  -18.7124
            7   C2x C    30.4033  -17.5910
            8   C1b C    30.2743  -15.2321
            9   C1x C    26.0981  -17.5781
            10  O1a O    26.2076  -15.2257
            11  O1a O    31.6729  -15.2321
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1 #Up
            10    8  11 1
            11    5   7 1
            12    6   9 1

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