COMPOUND: C21841
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Entry
C21841 Compound
Name
11-Oxocucurbitadienol;
3beta-Hydroxycucurbita-7,24-dien-11-one
Formula
C30H48O2
Exact mass
440.3654
Mol weight
440.70
Structure
Mol file
KCF file
DB search
Reaction
R12007
R12009
R12831
Pathway
map00996
Biosynthesis of various alkaloids
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.14.71
1.14.14.-
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0101 Cholesterol and derivatives
C21841 11-Oxocucurbitadienol
BRITE hierarchy
Other DBs
PubChem:
375580934
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All DBs
KCF data
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ATOM 32
1 C1x C 12.7774 -17.0600
2 C1y C 12.7774 -18.4642
3 C1z C 13.9708 -19.1662
4 C2y C 15.1643 -18.4642
5 C1y C 15.1643 -17.0600
6 C1x C 13.9708 -16.3580
7 C2x C 16.3578 -19.1662
8 C1x C 17.5513 -18.4642
9 C1y C 17.5513 -17.0600
10 C1z C 16.3578 -16.3580
11 C1z C 18.7447 -16.3580
12 C1z C 18.7447 -15.0241
13 C1x C 17.5513 -14.3221
14 C5x C 16.3578 -15.0241
15 C1y C 19.9383 -14.3221
16 C1x C 21.1317 -15.0241
17 C1c C 19.9383 -12.9881
18 C1b C 21.1317 -12.2861
19 C1b C 22.2550 -12.9180
20 C2b C 23.4485 -12.2861
21 C2c C 24.5718 -12.9180
22 C1a C 25.7653 -12.2861
23 C1a C 24.5718 -14.3221
24 C1x C 21.1317 -16.3580
25 C1a C 12.9880 -20.0789
26 C1a C 14.9537 -20.0789
27 C1a C 18.7447 -12.2861
28 C1a C 18.7447 -17.7621
29 O1a O 11.5838 -19.1662
30 C1a C 15.8666 -17.6215
31 C1a C 18.7447 -13.6200
32 O5x O 15.1408 -14.3215
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 12 15 1
18 15 16 1
19 15 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 2
24 21 22 1
25 21 23 1
26 16 24 1
27 24 11 1
28 3 25 1
29 3 26 1
30 17 27 1 #Down
31 11 28 1 #Down
32 2 29 1 #Up
33 10 30 1 #Up
34 12 31 1 #Up
35 14 32 2
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