COMPOUND: C09003
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Entry
C09003 Compound
Name
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid
Formula
C17H20O3
Exact mass
272.1412
Mol weight
272.3389
Structure
Mol file
KCF file
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Other DBs
CAS:
151731-50-9
PubChem:
11195
ChEBI:
860
KNApSAcK:
C00002424
3DMET:
B02602
NIKKAJI:
J909.753H
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KCF data
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ATOM 20
1 C8x C 23.0813 -18.2356
2 C8y C 23.0813 -19.6378
3 C8x C 24.2994 -20.3425
4 C8y C 24.2994 -17.5380
5 C8y C 25.5035 -18.2356
6 C8y C 25.4976 -19.6378
7 C2x C 26.7100 -20.3475
8 C2x C 27.9283 -19.6481
9 C1z C 27.9342 -18.2460
10 O2x O 26.7218 -17.5431
11 C6a C 21.8662 -20.3431
12 O6a O 21.8671 -21.7453
13 O6a O 20.6506 -19.6391
14 C1b C 24.3013 -16.1357
15 C2b C 25.5105 -15.4326
16 C2c C 25.5122 -14.0304
17 C1a C 26.7284 -13.3344
18 C1a C 24.3047 -13.3313
19 C1a C 29.1525 -17.5534
20 C1a C 29.1138 -18.9534
BOND 21
1 9 10 1
2 10 5 1
3 2 11 1
4 1 2 1
5 11 12 2
6 2 3 2
7 11 13 1
8 3 6 1
9 4 14 1
10 5 4 1
11 14 15 1
12 4 1 2
13 15 16 2
14 5 6 2
15 16 17 1
16 6 7 1
17 16 18 1
18 7 8 2
19 9 19 1
20 8 9 1
21 9 20 1
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