KEGG   COMPOUND: C11899
Entry
C11899                      Compound                               

Name
10-Deacetyl-2-debenzoylbaccatin III
Formula
C22H32O9
Exact mass
440.2046
Mol weight
440.4841
Structure
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 14061
ChEBI: 32897
3DMET: B04374
NIKKAJI: J2.777.713I
KCF data

ATOM        31
            1   C1y C    28.0786  -20.3813
            2   C1z C    29.1894  -21.0135
            3   C1y C    27.2928  -21.1797
            4   C1z C    28.0786  -19.0987
            5   C1y C    30.3001  -20.3813
            6   C1x C    30.3462  -21.7496
            7   O7a O    29.1779  -22.3996
            8   C1z C    24.8137  -21.2325
            9   C5x C    26.4004  -18.0283
            10  C1y C    29.1894  -18.4662
            11  C1a C    28.0949  -17.6051
            12  O2x O    31.5918  -21.1114
            13  C1x C    30.3001  -19.0987
            14  C7a C    30.3751  -23.0953
            15  C1z C    24.8137  -19.9432
            16  C1x C    23.7029  -21.8764
            17  O1a O    24.7963  -22.4802
            18  C1y C    23.7087  -18.0340
            19  O5x O    26.4234  -16.6252
            20  O1a O    29.4051  -17.1771
            21  C1a C    31.5765  -22.4225
            22  O6a O    30.3636  -24.4816
            23  C2y C    23.7029  -19.3107
            24  C1a C    25.8900  -18.9662
            25  C1a C    25.8763  -20.4438
            26  C1y C    22.5925  -21.2325
            27  O1a O    22.5982  -17.3971
            28  C2y C    22.5925  -19.9432
            29  O1a O    21.4042  -21.8095
            30  C1a C    21.4887  -19.3107
            31  O1a O    27.2805  -22.6212
BOND        34
            1     1   4 1
            2     2   5 1
            3     2   6 1 #Up
            4     2   7 1 #Down
            5     3   8 1
            6     4   9 1
            7     4  10 1
            8     4  11 1 #Up
            9     5  12 1 #Up
            10    5  13 1
            11    7  14 1
            12    8  15 1
            13    8  16 1
            14    8  17 1 #Up
            15    9  18 1
            16    9  19 2
            17   10  20 1 #Up
            18   14  21 1
            19   14  22 2
            20   15  23 1
            21   15  24 1
            22   15  25 1
            23   16  26 1
            24   18  27 1 #Up
            25   23  28 2
            26   26  29 1 #Down
            27   28  30 1
            28    6  12 1
            29   10  13 1
            30   18  23 1
            31   26  28 1
            32    1   2 1
            33    1   3 1
            34    3  31 1 #Down

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