COMPOUND: C10049
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Entry
C10049 Compound
Name
Glepidotin A;
8-Prenylgalangin;
8-(3,3-DMA)galangin;
8-(3,3-Dimethylallyl)galangin
Formula
C20H18O5
Exact mass
338.1154
Mol weight
338.3539
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10049 Glepidotin A
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavonols
C10049 Glepidotin A
BRITE hierarchy
Other DBs
CAS:
42193-83-9
PubChem:
12235
ChEBI:
5380
LIPIDMAPS:
LMPK12111639
KNApSAcK:
C00001045
3DMET:
B03492
NIKKAJI:
J1.667.308K
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All DBs
KCF data
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ATOM 25
1 C8y C 23.6604 -18.1823
2 C8y C 23.6547 -19.5817
3 C8y C 22.4534 -17.4768
4 O2x O 24.8791 -17.4826
5 C8y C 24.8674 -20.2872
6 C8y C 22.4534 -20.2814
7 C8y C 21.2406 -18.1823
8 C1b C 22.4534 -16.0774
9 C8y C 26.0920 -18.1882
10 C8y C 26.0861 -19.5934
11 O5x O 24.8617 -21.6809
12 C8x C 21.2406 -19.5817
13 O1a O 22.4534 -21.6750
14 O1a O 20.0279 -17.4826
15 C2b C 23.6604 -15.3834
16 C8y C 27.3107 -17.4885
17 O1a O 27.2931 -20.2989
18 C2c C 23.6604 -13.9899
19 C8x C 28.5235 -18.1999
20 C8x C 27.3107 -16.0890
21 C1a C 24.8674 -13.2902
22 C1a C 22.4534 -13.2902
23 C8x C 29.7421 -17.5002
24 C8x C 28.5292 -15.3893
25 C8x C 29.7421 -16.0948
BOND 27
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
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