COMPOUND: C19730
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Entry
C19730 Compound
Name
Crocetin dialdehyde;
8,8'-Diapocarotene-8,8'-dial
Formula
C20H24O2
Exact mass
296.1776
Mol weight
296.4034
Structure
Mol file
KCF file
DB search
Reaction
R09603
R10844
R12135
Pathway
map00999
Biosynthesis of various plant secondary metabolites
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.13.11.84
Other DBs
PubChem:
135626197
KNApSAcK:
C00023152
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KCF data
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ATOM 22
1 C2b C 27.5158 -17.3582
2 C2c C 28.7287 -18.0614
3 C2b C 26.3088 -18.0614
4 C4a C 29.9416 -17.3582
5 C1a C 28.7287 -19.4617
6 C2b C 25.0960 -17.3582
7 O4a O 31.1487 -18.0614
8 C2c C 23.8891 -18.0614
9 C2b C 22.6762 -17.3582
10 C1a C 23.8891 -19.4617
11 C2b C 21.4633 -18.0614
12 C2b C 20.2561 -17.3582
13 C2b C 19.0432 -18.0614
14 C2c C 17.8303 -17.3582
15 C2b C 16.6234 -18.0614
16 C1a C 17.8303 -15.9579
17 C2b C 15.4106 -17.3582
18 C2b C 14.2036 -18.0614
19 C2c C 12.9907 -17.3582
20 C4a C 11.7778 -18.0614
21 C1a C 12.9907 -15.9579
22 O4a O 10.5707 -17.3582
BOND 21
1 1 2 2
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 2
6 4 7 2
7 6 8 1
8 8 9 2
9 8 10 1
10 9 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 14 16 1
16 15 17 2
17 17 18 1
18 18 19 2
19 19 20 1
20 19 21 1
21 20 22 2
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