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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:138818 - Prepacifenol epoxide
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ChEBI Ontology
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ChEBI Name
Prepacifenol epoxide
ChEBI ID
CHEBI:138818
Stars
This entity has been manually annotated by a third party.
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Formula
C15H21Br2ClO3
Net Charge
0
Average Mass
444.586
Monoisotopic Mass
441.95460
InChI
InChI=1S/C15H21Br2ClO3/c1-
11(2)
14(5-
7(16)
12(3,18)
6-
8(14)
19)
13(4)
9(20-
13)
10-
15(11,17)
21-
10/h7-
10,19H,5-
6H2,1-
4H3/t7-
,8-
,9+,10+,12-
,13+,14-
,15+/m1/s1
InChIKey
AHEAISCIGHPMGI-WCRSPUDYSA-N
SMILES
O1[C@@]2(C([C@]3([C@@]4([C@H]([C@H]12)O4)C)[C@@H](C[C@@]([C@@H](C3)Br)(C)Cl)O)(C)C)Br
ChEBI Ontology
Outgoing
Prepacifenol epoxide (
CHEBI:138818
)
is a
epoxide (
CHEBI:32955
)
Prepacifenol epoxide (
CHEBI:138818
)
is a
organobromine compound (
CHEBI:37141
)
Prepacifenol epoxide (
CHEBI:138818
)
is a
organochlorine compound (
CHEBI:36683
)
Manual Xref
Database
10278730
ChemSpider
View more database links
Last Modified
25 October 2017