COMPOUND: C08726
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Entry
C08726 Compound
Name
Peonidin;
3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride
Formula
C16H13O6. Cl
Exact mass
336.0401
Mol weight
336.7238
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C08726 Peonidin
Dietary phytochemicals [
br08012.html
]
Flavonoids
C08726
BRITE hierarchy
Other DBs
CAS:
134-01-0
PubChem:
10919
ChEBI:
75033
75314
LIPIDMAPS:
LMPK12010006
3DMET:
B02358
NIKKAJI:
J244.796G
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All DBs
KCF data
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ATOM 23
1 C8y C 24.8908 -17.1500
2 C8y C 26.1096 -16.4502
3 O2x O 23.6779 -16.4445 #+
4 C8y C 24.8850 -18.5553
5 C8x C 27.3167 -17.1617
6 C8x C 26.1096 -15.0506
7 C8y C 22.4591 -17.1383
8 C8x C 23.6662 -19.2435
9 O1a O 26.0862 -19.2551
10 C8y C 28.5355 -16.4619
11 C8x C 27.3284 -14.3508
12 C8y C 22.4532 -18.5437
13 C8x C 21.2460 -16.4385
14 C8y C 28.5413 -15.0565
15 O2a O 29.7426 -17.1617
16 C8y C 21.2460 -19.2435
17 C8y C 20.0391 -17.1383
18 O1a O 29.7484 -14.3625
19 C1a C 30.9555 -16.4678
20 C8x C 20.0391 -18.5437
21 O1a O 21.2520 -20.6373
22 O1a O 18.8260 -16.4445
23 X Cl 23.7300 -13.5800 #-
BOND 24
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 2
8 4 9 1
9 5 10 1
10 6 11 2
11 7 12 2
12 7 13 1
13 10 14 2
14 10 15 1
15 12 16 1
16 13 17 2
17 14 18 1
18 15 19 1
19 16 20 2
20 16 21 1
21 17 22 1
22 8 12 1
23 11 14 1
24 17 20 1
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