EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215241 - Laurencia obtusa

ChEBI IDCHEBI:215241
ChEBI NameLaurencia obtusa
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H23Br2ClO2
Net Charge0
Average Mass430.608
Monoisotopic Mass427.97533
SMILESCC1(Br)CC[C@@]2(CC1Cl)C(C)(C)[C@H](Br)[C@H](O)C[C@@]21CO1
InChIInChI=1S/C15H23Br2ClO2/c1-12(2)11(16)9(19)6-15(8-20-15)14(12)5-4-13(3,17)10(18)7-14/h9-11,19H,4-8H2,1-3H3/t9-,10?,11-,13?,14-,15-/m1/s1
InChIKeyIMECRWKPGFVLJE-YKMBMCPFSA-N
ChEBI Ontology
Outgoing Relation(s)
Laurencia obtusa (CHEBI:215241) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3S,4R,11S,12R)-7,11-dibromo-6-chloro-7,10,10-trimethyl-2-oxadispiro[2.0.54.43]tridecan-12-ol
Manual XrefsDatabases
78439731ChemSpider