COMPOUND: C08732
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Entry
C08732 Compound
Name
Albafuran A;
4-((2E)-3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol
Formula
C24H26O4
Exact mass
378.1831
Mol weight
378.4608
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Flavonoids
Isoflavonoids
2-Arylbenzofurans
C08732 Albafuran A
BRITE hierarchy
Other DBs
CAS:
84323-14-8
PubChem:
10925
ChEBI:
2543
KNApSAcK:
C00002391
3DMET:
B02364
NIKKAJI:
J2.695.817B
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All DBs
KCF data
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ATOM 28
1 C8y C 27.8168 -14.8885
2 C8y C 26.4123 -14.8942
3 C8y C 28.5160 -16.1064
4 C8x C 28.5101 -13.6822
5 C8x C 25.5966 -13.7579
6 O2x O 25.6023 -16.0307
7 C8y C 29.9144 -16.1064
8 C1b C 27.8108 -17.3183
9 C8y C 29.9144 -13.6765
10 C8y C 24.2680 -14.1951
11 C8y C 24.2738 -15.5877
12 C8x C 30.6196 -14.8942
13 O1a O 30.6137 -17.3183
14 C2b C 26.4123 -17.3242
15 O1a O 30.6137 -12.4586
16 C8x C 23.0559 -13.4958
17 C8x C 23.0675 -16.2928
18 C2c C 25.7189 -18.5246
19 C8x C 21.8439 -14.2009
20 C8y C 21.8496 -15.6051
21 C1b C 24.3145 -18.5305
22 C1a C 26.4123 -19.7425
23 O1a O 20.6434 -16.3103
24 C1b C 23.6152 -19.7425
25 C2b C 22.2109 -19.7425
26 C2c C 21.5059 -20.9546
27 C1a C 20.1074 -20.9603
28 C1a C 22.2109 -22.1666
BOND 30
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 10 16 1
16 11 17 1
17 14 18 2
18 16 19 2
19 17 20 2
20 18 21 1
21 18 22 1
22 20 23 1
23 21 24 1
24 24 25 1
25 25 26 2
26 26 27 1
27 26 28 1
28 9 12 2
29 10 11 2
30 19 20 1
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