COMPOUND: C10407
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Entry
C10407 Compound
Name
Ventinone A;
1,4,5-Trihydroxy-7-methoxy-2,3-dimethylanthraquinone
Formula
C17H14O6
Exact mass
314.079
Mol weight
314.2895
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK13 Aromatic polyketides
PK1304 Anthracenes and phenanthrenes
C10407 Ventinone A
Phytochemical compounds [BR:
br08003
]
Polyketides
Anthraquinones
Anthraquinone type
C10407 Ventinone A
BRITE hierarchy
Other DBs
CAS:
73726-67-7
PubChem:
12593
ChEBI:
9945
KNApSAcK:
C00002867
3DMET:
B03820
NIKKAJI:
J2.773.185F
LinkDB
All DBs
KCF data
Show
ATOM 23
1 C8y C 27.9758 -21.4439
2 C8y C 28.0282 -22.8428
3 C5x C 26.7633 -20.7444
4 C8y C 29.1938 -20.7620
5 C5x C 26.7517 -23.5480
6 C8y C 29.1647 -23.5596
7 C8y C 25.5511 -21.4381
8 O5x O 26.7693 -19.3456
9 C8y C 30.3946 -21.4672
10 O1a O 29.2055 -19.3631
11 C8y C 25.5452 -22.8368
12 O5x O 26.7459 -24.9468
13 C8y C 30.3829 -22.8661
14 O1a O 29.2231 -24.9585
15 C8y C 24.3386 -20.7387
16 C1a C 31.6185 -20.7794
17 C8x C 24.3386 -23.5422
18 C1a C 31.5894 -23.5829
19 C8x C 23.1205 -21.4381
20 O1a O 24.3446 -19.3398
21 C8y C 23.1205 -22.8368
22 O2a O 21.9082 -23.5422
23 C1a C 20.6959 -22.8368
BOND 25
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 2
12 6 13 2
13 6 14 1
14 7 15 1
15 9 16 1
16 11 17 1
17 13 18 1
18 15 19 2
19 15 20 1
20 17 21 2
21 21 22 1
22 22 23 1
23 7 11 2
24 9 13 1
25 19 21 1
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