KEGG   COMPOUND: C17055Help
Entry
C17055                      Compound                               

Name
Picrocrocin
Formula
C16H26O7
Exact mass
330.1679
Mol weight
330.3734
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00999  Biosynthesis of secondary metabolites - unclassified
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Apocarotenoids
    C17055  Picrocrocin
BRITE hierarchy
Other DBs
CAS: 138-55-6
PubChem: 96023533
ChEBI: 53168
KNApSAcK: C00043821
NIKKAJI: J5.635I
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1x C    33.5136  -20.2588
            2   C1y C    33.5136  -21.6377
            3   C1x C    34.6858  -22.3272
            4   C2y C    35.9269  -21.6377
            5   C2y C    35.9269  -20.2588
            6   C1z C    34.6858  -19.5692
            7   C1a C    34.0652  -18.5350
            8   C1a C    35.4442  -18.5333
            9   C4a C    37.0990  -19.5692
            10  O4a O    38.2711  -20.2588
            11  C1a C    37.0990  -22.3272
            12  O2a O    32.2036  -22.4651
            13  C1y C    28.1356  -23.6372
            14  C1y C    28.1356  -25.0162
            15  C1y C    29.3078  -25.7057
            16  C1y C    30.5488  -25.0162
            17  C1y C    30.5488  -23.6372
            18  O2x O    29.3078  -22.9478
            19  O1a O    31.7210  -25.7057
            20  O1a O    29.3078  -27.0847
            21  O1a O    26.9635  -25.7057
            22  C1b C    26.9635  -22.9478
            23  O1a O    25.7913  -23.6372
BOND        24
            1     1   2 1
            2     2   3 1
            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    9  10 2
            11    4  11 1
            12    2  12 1 #Up
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   13  18 1
            19   17  12 1 #Up
            20   16  19 1 #Down
            21   15  20 1 #Up
            22   14  21 1 #Down
            23   13  22 1 #Up
            24   22  23 1

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