COMPOUND: C12391
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Entry
C12391 Compound
Name
Kinobscurinone;
4,9-Dihydroxy-2-methyl-11H-benzo[b]fluorene-5,10,11-trione
Formula
C18H10O5
Exact mass
306.0528
Mol weight
306.269
Structure
Mol file
KCF file
DB search
Reaction
R06671
R06672
Pathway
map01057
Biosynthesis of type II polyketide products
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK08 Angucyclines
C12391 Kinobscurinone
BRITE hierarchy
Other DBs
PubChem:
582781
ChEBI:
31752
3DMET:
B04476
NIKKAJI:
J767.637I
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KCF data
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ATOM 23
1 C8x C 14.7700 -15.6100
2 C8x C 14.7700 -17.0100
3 C8x C 15.9824 -17.7100
4 C8y C 17.1949 -17.0100
5 C8y C 17.1949 -15.6100
6 C8y C 15.9824 -14.9100
7 C5x C 18.4073 -17.7100
8 C2y C 19.6197 -17.0100
9 C2y C 19.6197 -15.6100
10 C5x C 18.4073 -14.9100
11 C8y C 20.9512 -17.4426
12 C8y C 21.7741 -16.3100
13 C5x C 20.9512 -15.1774
14 C8y C 21.5207 -18.7216
15 C8x C 22.9130 -18.8679
16 C8y C 23.7359 -17.7353
17 C8x C 23.1665 -16.4563
18 O1a O 20.7024 -19.8474
19 C1a C 25.1196 -17.8806
20 O5x O 21.3779 -13.8636
21 O5x O 18.4073 -19.1100
22 O5x O 18.4073 -13.5100
23 O1a O 15.9824 -13.5102
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 11 14 2
17 14 15 1
18 15 16 2
19 16 17 1
20 12 17 2
21 14 18 1
22 16 19 1
23 13 20 2
24 7 21 2
25 10 22 2
26 6 23 1
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