COMPOUND: C10792
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Entry
C10792 Compound
Name
Gentisyl alcohol;
2,5-Dihydroxybenzyl alcohol
Formula
C7H8O3
Exact mass
140.0473
Mol weight
140.1366
Structure
Mol file
KCF file
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CAS:
495-08-9
PubChem:
12975
ChEBI:
5325
KNApSAcK:
C00002649
3DMET:
B04126
NIKKAJI:
J11.774I
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KCF data
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ATOM 10
1 C8y C 26.7988 -21.2656
2 C8x C 28.0157 -21.9622
3 C8x C 29.1560 -21.2496
4 C8y C 29.2162 -19.8538
5 C8y C 27.9993 -19.1643
6 C8x C 26.7924 -19.8637
7 O1a O 25.5895 -21.9750
8 C1b C 27.9926 -17.7648
9 O1a O 29.2021 -17.0558
10 O1a O 30.4247 -19.1498
BOND 10
1 4 5 1
2 5 6 2
3 6 1 1
4 1 7 1
5 1 2 2
6 5 8 1
7 2 3 1
8 8 9 1
9 3 4 2
10 4 10 1
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