CHEBI:220016 - 10-Bromo-obtusallene

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 10-Bromo-obtusallene
ChEBI ID CHEBI:220016
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C16H19Br2ClO2
Net Charge 0
Average Mass 438.580
Monoisotopic Mass 435.94403
InChI InChI=1S/C16H19Br2ClO2/c1-10-8-14(18)15-9-12(19)5-6-13(4-3-7-17)20-11(2)16(10)21-15/h4-7,10-13,16H,8-9H2,1-2H3/b6-5-/t3?,10-,11-,12-,13+,16-/m0/s1
InChIKey WBFNLWIUNUWBSX-XYTKKIMDSA-N
SMILES BrC1=C2O[C@H]([C@@H](O[C@H](C=C=CBr)C=C[C@@H](C2)Cl)C)[C@H](C1)C
ChEBI Ontology
Outgoing 10-Bromo-obtusallene (CHEBI:220016) is a organobromine compound (CHEBI:37141)
Manual Xref Database
78442655 ChemSpider
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