KEGG   COMPOUND: C11899Help
Entry
C11899                      Compound                               

Name
10-Deacetyl-2-debenzoylbaccatin III
Formula
C22H32O9
Exact mass
440.2046
Mol weight
440.4841
Structure
Mol fileKCF fileDB search
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 Show

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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