COMPOUND: C03830
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Entry
C03830 Compound
Name
3,4-Dehydro-6-hydroxymellein
Formula
C10H8O4
Exact mass
192.0423
Mol weight
192.17
Structure
Mol file
KCF file
DB search
Other DBs
PubChem:
6573
ChEBI:
1369
KNApSAcK:
C00000551
NIKKAJI:
J61.259F
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KCF data
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ATOM 14
1 C8y C 18.4037 -13.4538
2 C8y C 18.4037 -14.8521
3 C8x C 17.1896 -12.7673
4 C8x C 19.6113 -12.7482
5 C8y C 17.1896 -15.5640
6 C8y C 19.6240 -15.5577
7 C8y C 15.9883 -13.4538
8 C8y C 20.8317 -13.4473
9 C8x C 15.9883 -14.8521
10 O1a O 17.2533 -16.9433
11 O7x O 20.8444 -14.8586
12 O6a O 19.6177 -16.9369
13 O1a O 14.7933 -12.7673
14 C1a C 22.0712 -12.6910
BOND 15
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 2
8 5 9 2
9 5 10 1
10 6 11 1
11 6 12 2
12 7 13 1
13 8 14 1
14 7 9 1
15 8 11 1
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