COMPOUND: C10117
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Entry
C10117 Compound
Name
Pachypodol;
Quercetin 3,7,3'-trimethyl ether
Formula
C18H16O7
Exact mass
344.0896
Mol weight
344.3154
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10117 Pachypodol
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavonols
C10117 Pachypodol
BRITE hierarchy
Other DBs
CAS:
33708-72-4
PubChem:
12303
ChEBI:
70007
LIPIDMAPS:
LMPK12112754
KNApSAcK:
C00004646
3DMET:
B03555
NIKKAJI:
J23.593H
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All DBs
KCF data
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ATOM 25
1 C8y C 30.0758 -17.6398
2 C8y C 31.2930 -16.9467
3 C8y C 30.0700 -19.0375
4 O2x O 28.8644 -16.9350
5 C8x C 31.2930 -15.5489
6 C8x C 32.4986 -17.6515
7 C8y C 28.8527 -19.7364
8 O2a O 31.2814 -19.7481
9 C8y C 27.6471 -17.6282
10 C8y C 32.5103 -14.8500
11 C8x C 33.7101 -16.9583
12 C8y C 27.6414 -19.0258
13 O5x O 28.8470 -21.1401
14 C1a C 32.4986 -19.0492
15 C8x C 26.4415 -16.9293
16 C8y C 33.7159 -15.5605
17 O2a O 32.4462 -13.4521
18 C8y C 26.4415 -19.7307
19 C8y C 25.2243 -17.6282
20 O1a O 34.9332 -14.8616
21 C1a C 33.7275 -12.7591
22 C8x C 25.2243 -19.0258
23 O1a O 26.4415 -21.1342
24 O2a O 24.0186 -16.9293
25 C1a C 22.8014 -17.6282
BOND 27
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 2
10 6 11 1
11 7 12 1
12 7 13 2
13 8 14 1
14 9 15 1
15 10 16 1
16 10 17 1
17 12 18 1
18 15 19 2
19 16 20 1
20 17 21 1
21 18 22 2
22 18 23 1
23 19 24 1
24 24 25 1
25 9 12 2
26 11 16 2
27 19 22 1
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