COMPOUND: C18024
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Entry
C18024 Compound
Name
Leachianone G;
(-)-(2S)-2'-Hydroxy-8-dimethylallylnaringenin;
(-)-(2S)-5,7-Dihydroxy-8-(2-hydroxy-3-methylbut-2-enyl)-2-(4-hydroxyphenyl)chroman-4-one
Formula
C20H20O6
Exact mass
356.126
Mol weight
356.3692
Structure
Mol file
KCF file
DB search
Reaction
R08922
R08952
Enzyme
1.14.14.142
2.5.1.71
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1214 Flavanones
C18024 Leachianone G
BRITE hierarchy
Other DBs
PubChem:
96024244
ChEBI:
50208
LIPIDMAPS:
LMPK12140490
KNApSAcK:
C00014164
NIKKAJI:
J862.623E
LinkDB
All DBs
KCF data
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ATOM 26
1 C8y C 26.6632 -26.2808
2 C8y C 26.6690 -24.8782
3 C5x C 27.8736 -26.9791
4 C8y C 25.4586 -26.9791
5 O2x O 27.8852 -24.1857
6 C8y C 25.4586 -24.1798
7 C1x C 29.1542 -26.2924
8 C8x C 24.2423 -26.2808
9 C1y C 29.0900 -24.8898
10 C8y C 24.2423 -24.8782
11 C8y C 30.3062 -24.1915
12 O1a O 23.0318 -24.1798
13 C8y C 31.5109 -24.9074
14 C8x C 30.3062 -22.7947
15 C8x C 32.7273 -24.2090
16 C8x C 31.5225 -22.1082
17 C8y C 32.7330 -22.8063
18 O1a O 33.9493 -22.1139
19 O1a O 25.4614 -28.4048
20 O5x O 27.8689 -28.4046
21 C1b C 25.4602 -22.8079
22 C2b C 24.2535 -22.1094
23 C2c C 24.1851 -20.7093
24 C1a C 25.4837 -20.0015
25 C1a C 23.0601 -20.0176
26 O1a O 31.5005 -26.3200
BOND 28
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 9 11 1 #Down
11 10 12 1
12 11 13 2
13 11 14 1
14 13 15 1
15 14 16 2
16 15 17 2
17 17 18 1
18 7 9 1
19 8 10 2
20 16 17 1
21 4 19 1
22 3 20 2
23 6 21 1
24 21 22 1
25 22 23 2
26 23 24 1
27 23 25 1
28 13 26 1
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