COMPOUND: C17811
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Entry
C17811 Compound
Name
Questinol;
1,6-Dihydroxy-3-(hydroxymethyl)-8-methoxy-9,10-anthracenedione
Formula
C16H12O6
Exact mass
300.0634
Mol weight
300.2629
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C17811 Questinol
Phytochemical compounds [BR:
br08003
]
Polyketides
Anthraquinones
Anthraquinone type
C17811 Questinol
BRITE hierarchy
Other DBs
CAS:
35688-09-6
PubChem:
96024116
ChEBI:
81349
NIKKAJI:
J269.595B
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KCF data
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ATOM 22
1 C8y C 19.3200 -23.8700
2 C8x C 19.3200 -22.4700
3 C8y C 20.5100 -21.7700
4 C8y C 21.7700 -22.4700
5 C8y C 21.7700 -23.8700
6 C8x C 20.5100 -24.5700
7 C5x C 22.9600 -21.7700
8 C8y C 24.1500 -22.4700
9 C8y C 24.1500 -23.8700
10 C5x C 22.9600 -24.5700
11 C8y C 25.4100 -21.7700
12 C8x C 26.6000 -22.4700
13 C8y C 26.6000 -23.8700
14 C8x C 25.4100 -24.5700
15 O5x O 22.9600 -25.9700
16 O5x O 22.9600 -20.3700
17 C1b C 27.7900 -24.5700
18 O1a O 29.0500 -23.8700
19 O1a O 25.4100 -20.3700
20 O2a O 20.5100 -20.3700
21 O1a O 18.1300 -24.5700
22 C1a C 19.3200 -19.6700
BOND 24
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 2
14 12 13 1
15 13 14 2
16 9 14 1
17 10 15 2
18 7 16 2
19 13 17 1
20 17 18 1
21 11 19 1
22 3 20 1
23 1 21 1
24 20 22 1
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