COMPOUND: C10536
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Entry
C10536 Compound
Name
Texasin;
6,7-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone
Formula
C16H12O5
Exact mass
284.0685
Mol weight
284.2635
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C10536 Texasin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Isoflavonoids
Isoflavones
C10536 Texasin
BRITE hierarchy
Other DBs
CAS:
897-46-1
PubChem:
12719
ChEBI:
9507
LIPIDMAPS:
LMPK12050101
KNApSAcK:
C00002579
3DMET:
B03935
NIKKAJI:
J195.195E
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KCF data
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ATOM 21
1 C8y C 22.9336 -16.9464
2 C8y C 22.9393 -15.5485
3 C8y C 24.1450 -17.6511
4 C8x C 21.7279 -17.6452
5 C8x C 21.7279 -14.8436
6 O2x O 24.1567 -14.8495
7 C8y C 25.3624 -16.9579
8 O5x O 24.1393 -19.0491
9 C8y C 20.5164 -16.9464
10 C8y C 20.5164 -15.5485
11 C8x C 25.3683 -15.5601
12 C8y C 26.5681 -17.6628
13 O1a O 19.3048 -17.6452
14 O1a O 19.3048 -14.8436
15 C8x C 26.6265 -19.0607
16 C8x C 27.7798 -16.9696
17 C8x C 27.7681 -19.7714
18 C8x C 28.9912 -17.6685
19 C8y C 28.9855 -19.0724
20 O2a O 30.1910 -19.7771
21 C1a C 31.4084 -19.0781
BOND 23
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 5 10 2
10 6 11 1
11 7 12 1
12 9 13 1
13 10 14 1
14 12 15 2
15 12 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 20 21 1
21 7 11 2
22 9 10 1
23 18 19 1
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