COMPOUND: C09735
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Entry
C09735 Compound
Name
Fisetinidol;
3,7,3',4'-Tetrahydroxyflavan
Formula
C15H14O5
Exact mass
274.0841
Mol weight
274.2687
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1202 Flavans, Flavanols and Leucoanthocyanidins
C09735 Fisetinidol
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavan 3-ols
C09735 Fisetinidol
BRITE hierarchy
Other DBs
CAS:
490-49-3
PubChem:
11923
ChEBI:
5066
LIPIDMAPS:
LMPK12020013
KNApSAcK:
C00008822
3DMET:
B03234
NIKKAJI:
J17.561G
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KCF data
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ATOM 20
1 C1y C 27.0048 -21.2048
2 O2x O 25.7929 -20.4999
3 C1y C 26.9989 -22.6089
4 C8y C 24.5752 -21.1989
5 C1x C 25.7813 -23.3024
6 O1a O 28.2050 -23.3141
7 C8y C 24.5692 -22.5973
8 C8x C 23.3691 -20.4940
9 C8x C 23.3691 -23.2965
10 C8y C 22.1570 -21.1989
11 C8x C 22.1570 -22.5973
12 O1a O 20.9509 -20.4999
13 C8y C 28.2225 -20.5056
14 C8x C 28.2225 -19.1072
15 C8x C 29.4344 -21.2165
16 C8y C 29.4403 -18.4080
17 C8x C 30.6521 -20.5173
18 C8y C 30.6521 -19.1131
19 O1a O 29.4460 -17.0155
20 O1a O 31.8642 -18.4197
BOND 22
1 7 9 1
2 8 10 2
3 9 11 2
4 10 12 1
5 5 7 1
6 10 11 1
7 1 13 1 #Down
8 1 2 1
9 1 3 1
10 2 4 1
11 3 5 1
12 3 6 1 #Up
13 4 7 2
14 4 8 1
15 13 14 1
16 13 15 2
17 14 16 2
18 15 17 1
19 16 18 1
20 16 19 1
21 18 20 1
22 17 18 2
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