COMPOUND: C04581
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Entry
C04581 Compound
Name
Tomentin;
3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone
Formula
C17H14O8
Exact mass
346.0689
Mol weight
346.2883
Structure
Mol file
KCF file
DB search
Reaction
R04505
Enzyme
2.1.1.84
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C04581 Tomentin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavonols
C04581 Tomentin
BRITE hierarchy
Other DBs
CAS:
59171-23-2
PubChem:
7182
ChEBI:
27767
LIPIDMAPS:
LMPK12112991
KNApSAcK:
C00004685
3DMET:
B00734
NIKKAJI:
J638.463C
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All DBs
KCF data
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ATOM 25
1 C8y C 17.4300 -17.7100
2 C8y C 17.4300 -16.3100
3 C8y C 18.6900 -18.4100
4 C8y C 16.2400 -18.4100
5 O2x O 18.6900 -15.6100
6 C8x C 16.2400 -15.6100
7 C8y C 19.8800 -17.7100
8 O5x O 18.6900 -19.8100
9 C8y C 15.0500 -17.7100
10 O1a O 16.2400 -19.8100
11 C8y C 19.8800 -16.3100
12 C8y C 15.0500 -16.3100
13 O2a O 21.1400 -18.4100
14 O1a O 13.7900 -18.4100
15 C8y C 21.1400 -15.6100
16 O2a O 13.7900 -15.6100
17 C1a C 22.3300 -17.7100
18 C8x C 21.1400 -14.2100
19 C8x C 22.3300 -16.3100
20 C1a C 12.6000 -16.3100
21 C8y C 22.3300 -13.5100
22 C8x C 23.5200 -15.6100
23 C8y C 23.5200 -14.2100
24 O1a O 22.3300 -12.1100
25 O1a O 24.7100 -13.5100
BOND 27
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 6 12 1
12 7 13 1
13 9 14 1
14 11 15 1
15 12 16 1
16 13 17 1
17 15 18 1
18 15 19 2
19 16 20 1
20 18 21 2
21 19 22 1
22 21 23 1
23 21 24 1
24 23 25 1
25 7 11 2
26 9 12 2
27 22 23 2
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