COMPOUND: C09479
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Entry
C09479 Compound
Name
Betagarin;
5,2'-Dimethoxy-6,7-methylenedioxyflavanone
Formula
C18H16O6
Exact mass
328.0947
Mol weight
328.316
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1214 Flavanones
C09479 Betagarin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavanones
C09479 Betagarin
BRITE hierarchy
Other DBs
CAS:
60132-69-6
PubChem:
11670
ChEBI:
27679
LIPIDMAPS:
LMPK12140599
KNApSAcK:
C00000942
3DMET:
B03006
NIKKAJI:
J17.981G
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KCF data
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ATOM 24
1 C8y C 23.1697 -15.9601
2 C8y C 21.9776 -16.6608
3 C8y C 23.1756 -14.5632
4 C5x C 24.3795 -16.6667
5 C8y C 20.7621 -15.9601
6 O2a O 21.9776 -18.0635
7 O2x O 24.3912 -13.8670
8 C8x C 21.9776 -13.8612
9 C1x C 25.5948 -15.9719
10 O5x O 24.3736 -18.0635
11 C8y C 20.7621 -14.5572
12 O2x O 19.4237 -16.3917
13 C1a C 20.7681 -18.7712
14 C1y C 25.6008 -14.5749
15 O2x O 19.4296 -14.1245
16 C1x C 18.5989 -15.2522
17 C8y C 26.8164 -13.8814
18 C8y C 28.0201 -14.5924
19 C8x C 26.8162 -12.4820
20 C8x C 29.2427 -13.8904
21 O2a O 28.0142 -15.9953
22 C8x C 28.0318 -11.7872
23 C8x C 29.2485 -12.4938
24 C1a C 29.2251 -16.6901
BOND 27
1 4 9 1
2 4 10 2
3 5 11 1
4 5 12 1
5 6 13 1
6 7 14 1
7 11 15 1
8 12 16 1
9 8 11 2
10 9 14 1
11 15 16 1
12 14 17 1 #Down
13 1 2 1
14 1 3 2
15 1 4 1
16 2 5 2
17 2 6 1
18 3 7 1
19 3 8 1
20 17 18 2
21 17 19 1
22 18 20 1
23 18 21 1
24 19 22 2
25 20 23 2
26 21 24 1
27 22 23 1
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