COMPOUND: C15031
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Entry
C15031 Compound
Name
Nortangeretin;
2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-1-benzopyran-4-one;
5,6,7,8,4'-Pentahydroxyflavone
Formula
C15H10O7
Exact mass
302.0427
Mol weight
302.2357
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C15031 Nortangeretin
BRITE hierarchy
Other DBs
CAS:
577-26-4
PubChem:
17396028
ChEBI:
79553
LIPIDMAPS:
LMPK12111443
NIKKAJI:
J1.571.587A
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KCF data
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ATOM 22
1 C8y C 20.3308 -15.8646
2 C8y C 20.3308 -17.2618
3 C8y C 21.5409 -17.9605
4 C8x C 22.7513 -17.2618
5 C8y C 22.7513 -15.8646
6 O2x O 21.5409 -15.1658
7 C8y C 19.1206 -15.1658
8 C8y C 17.9102 -15.8646
9 C8y C 17.9102 -17.2618
10 C8y C 19.1206 -17.9605
11 C8y C 23.9800 -15.1547
12 C8x C 25.1829 -15.8493
13 C8x C 26.3930 -15.1503
14 C8y C 26.3930 -13.7528
15 C8x C 25.1901 -13.0585
16 C8x C 23.9799 -13.7572
17 O1a O 27.6088 -13.0508
18 O1a O 16.6813 -15.1547
19 O1a O 16.6813 -17.9716
20 O1a O 19.1206 -19.3579
21 O5x O 21.5408 -19.3789
22 O1a O 19.1204 -13.7824
BOND 24
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 7 22 1
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