CHEBI:138818 - Prepacifenol epoxide

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ChEBI Name Prepacifenol epoxide
ChEBI ID CHEBI:138818
Stars This entity has been manually annotated by a third party.
Supplier Information
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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
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Last Modified
25 October 2017