COMPOUND: C09111
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Entry
C09111 Compound
Name
Inflexin;
3beta,11beta-Diacetoxy-1alpha-hydroxykaura-16-ene-6,15-dione
Formula
C24H32O7
Exact mass
432.2148
Mol weight
432.5067
Structure
Mol file
KCF file
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Brite
Phytochemical compounds [BR:
br08003
]
Terpenoids
Diterpenoids (C20)
Kaurenes
C09111 Inflexin
BRITE hierarchy
Other DBs
CAS:
39388-66-4
PubChem:
11303
ChEBI:
5921
66075
KNApSAcK:
C00003438
3DMET:
B02690
NIKKAJI:
J16.503D
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KCF data
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ATOM 31
1 C1z C 27.6991 -16.1206
2 C1y C 26.5182 -15.4284
3 C1x C 28.8859 -15.4460
4 C1x C 27.6991 -17.4940
5 C1z C 25.3184 -16.1089
6 C1y C 26.5297 -14.0550
7 C1y C 28.8976 -14.0784
8 C5x C 26.5066 -18.1755
9 C1y C 25.3127 -17.4823
10 C1y C 24.1376 -15.4227
11 C1a C 25.2367 -14.9395
12 C1x C 27.7224 -13.3793
13 O1a O 25.7618 -12.6559
14 O5x O 26.5006 -19.5549
15 C1z C 24.1376 -18.1755
16 C1x C 22.9379 -16.1089
17 O7a O 24.1259 -13.8391
18 C1y C 22.9379 -17.4823
19 C1a C 24.7665 -19.6365
20 C1a C 23.4327 -19.4336
21 C7a C 23.4327 -12.6454
22 O7a O 21.7383 -18.1638
23 C1a C 24.1142 -11.4645
24 O6a O 22.0591 -12.6513
25 C7a C 20.5631 -17.4766
26 C1a C 19.3764 -18.1581
27 O6a O 20.5689 -16.1030
28 C5x C 28.8791 -16.8027
29 C2y C 30.0777 -14.7580
30 C2a C 31.3991 -14.4073
31 O5x O 29.2286 -18.1244
BOND 34
1 2 5 1
2 2 6 1
3 3 7 1
4 4 8 1
5 5 9 1
6 5 10 1
7 5 11 1 #Down
8 6 12 1
9 6 13 1 #Down
10 8 14 2
11 9 15 1
12 10 16 1
13 10 17 1 #Up
14 15 18 1
15 15 19 1
16 15 20 1
17 17 21 1
18 18 22 1 #Up
19 21 23 1
20 21 24 2
21 22 25 1
22 25 26 1
23 25 27 2
24 7 12 1
25 8 9 1
26 16 18 1
27 1 28 1 #Up
28 1 2 1
29 7 29 1 #Up
30 28 29 1
31 1 3 1
32 29 30 2
33 1 4 1
34 28 31 2
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