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CHEBI:227866 - Hamigeran J

ChEBI IDCHEBI:227866
ChEBI NameHamigeran J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25BrO5
Net Charge0
Average Mass425.319
Monoisotopic Mass424.08854
SMILESCOC(=O)[C@@]1(O)C(=O)[C@]2(C)CC[C@H](C(C)C)[C@@H]2c2cc(C)c(Br)c(O)c21
InChIInChI=1S/C20H25BrO5/c1-9(2)11-6-7-19(4)13(11)12-8-10(3)15(21)16(22)14(12)20(25,17(19)23)18(24)26-5/h8-9,11,13,22,25H,6-7H2,1-5H3/t11-,13-,19-,20+/m1/s1
InChIKeyWTZGVMPCXJOOJF-BJYQWAJSSA-N
Species of MetaboliteComponentSourceComments
Hamigera (ncbitaxon:39196) - PubMed (23925673)
ChEBI Ontology
Outgoing Relation(s)
Hamigeran J (CHEBI:227866) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
methyl (1R,3aR,5S,9bR)-7-bromo-5,6-dihydroxy-3a,8-dimethyl-4-oxo-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-5-carboxylate
Manual XrefsDatabases
30771407ChemSpider