COMPOUND: C15109
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Entry
C15109 Compound
Name
Gardenin B;
5-Hydroxy-2-(4-methoxyphenyl)-6,7,8-trimethoxy-4H-1-benzopyran-4-one;
5-Hydroxy-4',6,7,8-tetramethoxyflavone;
Demethyltangeretin
Formula
C19H18O7
Exact mass
358.1053
Mol weight
358.342
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C15109 Gardenin B
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavones
C15109 Gardenin B
BRITE hierarchy
Other DBs
CAS:
2798-20-1
PubChem:
17396106
ChEBI:
79628
LIPIDMAPS:
LMPK12111451
KNApSAcK:
C00003883
NIKKAJI:
J94.492K
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All DBs
KCF data
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ATOM 26
1 C8y C 20.4264 -16.0390
2 C8y C 20.4264 -17.4331
3 C8y C 21.6339 -18.1303
4 C8x C 22.8416 -17.4331
5 C8y C 22.8416 -16.0390
6 O2x O 21.6339 -15.3417
7 C8y C 19.2188 -15.3417
8 C8y C 18.0110 -16.0390
9 C8y C 18.0110 -17.4331
10 C8y C 19.2188 -18.1303
11 C8y C 24.0677 -15.3306
12 C8x C 25.2680 -16.0237
13 C8x C 26.4754 -15.3262
14 C8y C 26.4754 -13.9317
15 C8x C 25.2751 -13.2390
16 C8x C 24.0676 -13.9361
17 O2a O 27.6886 -13.2313
18 O2a O 16.7848 -15.3306
19 O2a O 16.7848 -18.1414
20 O1a O 19.2188 -19.5247
21 O5x O 21.6338 -19.5456
22 C1a C 16.7857 -13.8992
23 O2a O 19.2186 -13.9304
24 C1a C 20.4545 -13.2164
25 C1a C 15.5789 -17.4453
26 C1a C 28.9238 -13.9447
BOND 28
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 5 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 14 17 1
20 8 18 1
21 9 19 1
22 10 20 1
23 3 21 2
24 18 22 1
25 7 23 1
26 23 24 1
27 19 25 1
28 17 26 1
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