COMPOUND: C11578
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Entry
C11578 Compound
Name
8-(3,3-Dimethylallyl)-3-methylgalangin;
8-(3,3-DMA)-3-methylgalangin
Formula
C21H20O5
Exact mass
352.1311
Mol weight
352.3805
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C11578 8-(3,3-Dimethylallyl)-3-methylgalangin
BRITE hierarchy
Other DBs
PubChem:
13743
ChEBI:
2304
NIKKAJI:
J2.775.204G
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KCF data
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ATOM 26
1 C8y C 26.8030 -20.2569
2 C8y C 26.7972 -21.6565
3 C8y C 25.5958 -19.5513
4 O2x O 28.0218 -19.5571
5 C8y C 28.0101 -22.3621
6 C8y C 25.5958 -22.3563
7 C8y C 24.3829 -20.2569
8 C1b C 25.5958 -18.1517
9 C8y C 29.2349 -20.2628
10 C8y C 29.2290 -21.6682
11 O5x O 28.0044 -23.7559
12 C8x C 24.3829 -21.6565
13 O1a O 25.5958 -23.7500
14 O1a O 23.1700 -19.5571
15 C2b C 26.8030 -17.4577
16 C8y C 30.4537 -19.5630
17 O2a O 30.4361 -22.3737
18 C2c C 26.8030 -16.0640
19 C8x C 31.6666 -20.2745
20 C8x C 30.4537 -18.1634
21 C1a C 28.0101 -15.3642
22 C1a C 25.5958 -15.3642
23 C8x C 32.8854 -19.5747
24 C8x C 31.6724 -17.4636
25 C8x C 32.8854 -18.1691
26 C1a C 31.6482 -21.6825
BOND 28
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 2
12 6 13 1
13 7 14 1
14 8 15 1
15 9 16 1
16 10 17 1
17 15 18 2
18 16 19 2
19 16 20 1
20 18 21 1
21 18 22 1
22 19 23 1
23 20 24 2
24 23 25 2
25 7 12 1
26 9 10 2
27 24 25 1
28 17 26 1
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