COMPOUND: C01448
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Entry
C01448 Compound
Name
Questin;
1,6-Dihydroxy-8-methoxy-3-methylanthracene-9,10-dione
Formula
C16H12O5
Exact mass
284.0685
Mol weight
284.26
Structure
Mol file
KCF file
DB search
Reaction
R02417
R10472
Enzyme
1.1.1.443
2.1.1.283
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C01448 Questin
Phytochemical compounds [BR:
br08003
]
Polyketides
Anthraquinones
Anthraquinone type
C01448 Questin
BRITE hierarchy
Other DBs
CAS:
3774-64-9
PubChem:
4625
KNApSAcK:
C00000570
C00033337
NIKKAJI:
J13.495C
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All DBs
KCF data
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ATOM 21
1 C8y C 23.3663 -15.8395
2 C8y C 23.3726 -17.2509
3 C5x C 22.1456 -15.1338
4 C8y C 24.5869 -15.1083
5 C5x C 22.1519 -17.9438
6 C8x C 24.6123 -17.9502
7 C8y C 20.9314 -15.8458
8 O5x O 22.1394 -13.9641
9 C8x C 25.8203 -15.8141
10 O2a O 24.5679 -13.9387
11 C8y C 20.9314 -17.2445
12 O5x O 22.1519 -19.3299
13 C8y C 25.8458 -17.2382
14 C8y C 19.7171 -15.1528
15 C1a C 25.7567 -13.2331
16 C8x C 19.7171 -17.9502
17 O1a O 26.9773 -17.9248
18 C8x C 18.5218 -15.8458
19 O1a O 19.7171 -13.9133
20 C8y C 18.5218 -17.2445
21 C1a C 17.4603 -17.8610
BOND 23
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 1
13 7 14 1
14 10 15 1
15 11 16 1
16 13 17 1
17 14 18 2
18 14 19 1
19 16 20 2
20 20 21 1
21 7 11 2
22 9 13 2
23 18 20 1
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