COMPOUND: C14476
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Entry
C14476 Compound
Name
Xanthomicrol;
4',5-Dihydroxy-6,7,8-trimethoxyflavone
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
C14476 Xanthomicrol
BRITE hierarchy
Other DBs
CAS:
16545-23-6
PubChem:
17395476
ChEBI:
35047
LIPIDMAPS:
LMPK12111447
KNApSAcK:
C00003879
NIKKAJI:
J14.449E
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KCF data
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ATOM 25
1 C8y C 32.4990 -25.8407
2 C8x C 32.4990 -27.1716
3 C8x C 31.2382 -25.1402
4 C8x C 31.3082 -27.9421
5 C8x C 30.0473 -25.8407
6 C8y C 24.0230 -28.0823
7 C8y C 25.2838 -27.3117
8 C8y C 25.3540 -30.1837
9 C8x C 28.9265 -29.3431
10 C8y C 30.0473 -27.3117
11 C8y C 24.0230 -29.4833
12 C8y C 26.5448 -28.0122
13 C8y C 26.5448 -29.4131
14 C8y C 27.7357 -30.1137
15 C8y C 28.9265 -28.0122
16 O2a O 22.9024 -30.2538
17 O5x O 27.7358 -31.4446
18 O2x O 27.6657 -27.3117
19 O1a O 33.7000 -25.1338
20 O2a O 22.7881 -27.3897
21 O1a O 25.3462 -31.5696
22 C1a C 21.6244 -29.6446
23 C1a C 22.8400 -25.9721
24 O2a O 25.2534 -25.8847
25 C1a C 26.4466 -25.1616
BOND 27
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 2
5 4 10 2
6 5 10 1
7 6 7 2
8 6 11 1
9 7 12 1
10 8 11 2
11 8 13 1
12 9 14 1
13 9 15 2
14 10 15 1
15 11 16 1
16 12 13 2
17 12 18 1
18 13 14 1
19 14 17 2
20 15 18 1
21 1 19 1
22 6 20 1
23 8 21 1
24 16 22 1
25 20 23 1
26 7 24 1
27 24 25 1
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