COMPOUND: C10338
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Entry
C10338 Compound
Name
Echinone;
6-((1S)-1-(Acetyloxy)-4-methyl-3-pentenyl)-8-hydroxy-5-methoxy-1,4-naphthalenedione
Formula
C19H20O6
Exact mass
344.1260
Mol weight
344.36
Structure
Mol file
KCF file
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Other DBs
CAS:
80348-65-8
PubChem:
12524
ChEBI:
4748
KNApSAcK:
C00002820
NIKKAJI:
J185.426G
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KCF data
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ATOM 25
1 C8y C 31.0012 -19.8623
2 C8y C 29.7953 -19.1689
3 C8y C 30.9954 -21.2663
4 C5x C 32.2189 -19.1748
5 C8y C 28.5834 -19.8623
6 O2a O 29.8011 -17.7648
7 C8y C 29.7953 -21.9714
8 C5x C 32.2072 -21.9771
9 C2x C 33.4308 -19.8739
10 O5x O 32.2248 -17.7707
11 C1c C 27.3716 -19.1689
12 C8x C 28.5834 -21.2663
13 O1a O 29.8011 -23.3697
14 C2x C 33.4949 -21.2780
15 O5x O 32.2015 -23.3754
16 C1b C 26.1596 -19.8564
17 O7a O 27.3716 -17.7648
18 C2b C 24.9479 -19.1631
19 C7a C 26.1596 -17.0657
20 C2c C 23.7359 -19.8506
21 C1a C 24.9479 -17.7648
22 O6a O 26.1596 -15.6616
23 C1a C 22.5242 -19.1515
24 C1a C 23.7359 -21.2547
25 C1a C 31.0238 -17.0653
BOND 26
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 7 13 1
13 8 14 1
14 8 15 2
15 11 16 1
16 11 17 1 #Down
17 16 18 1
18 17 19 1
19 18 20 2
20 19 21 1
21 19 22 2
22 20 23 1
23 20 24 1
24 7 12 2
25 9 14 2
26 6 25 1
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