COMPOUND: C09918
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Entry
C09918 Compound
Name
Aucuparin;
3,5-Dimethoxy-(1,1'-biphenyl)-4-ol
Formula
C14H14O3
Exact mass
230.0943
Mol weight
230.2592
Structure
Mol file
KCF file
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Other DBs
CAS:
3687-28-3
PubChem:
12104
ChEBI:
2920
KNApSAcK:
C00002980
3DMET:
B03377
NIKKAJI:
J346.811I
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KCF data
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ATOM 17
1 C8y C 27.4413 -20.2414
2 C8y C 26.2301 -20.9389
3 C8x C 27.4396 -18.8479
4 C8x C 28.6524 -20.9452
5 C8x C 25.0222 -20.2401
6 C8x C 26.2299 -22.3402
7 C8y C 28.6557 -18.1475
8 C8y C 29.8666 -20.2526
9 C8x C 23.8060 -20.9404
10 C8x C 25.0137 -23.0408
11 C8y C 29.8717 -18.8484
12 O2a O 28.6611 -16.7432
13 O2a O 31.0774 -20.9565
14 C8x C 23.8078 -22.3339
15 O1a O 31.0829 -18.1507
16 C1a C 29.8774 -16.0425
17 C1a C 32.2915 -20.2639
BOND 18
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 5 9 1
9 6 10 2
10 7 11 2
11 7 12 1
12 8 13 1
13 9 14 2
14 11 15 1
15 12 16 1
16 13 17 1
17 8 11 1
18 10 14 1
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