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CHEBI:199741 - Hamigeran A ethyl ester

ChEBI IDCHEBI:199741
ChEBI NameHamigeran A ethyl ester
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FormulaC21H27BrO5
Net Charge0
Average Mass439.346
Monoisotopic Mass438.10419
SMILESCCOC(=O)[C@]1(O)C(=O)c2c(cc(C)c(Br)c2O)[C@H]2[C@@H](C(C)C)CC[C@]21C
InChIInChI=1S/C21H27BrO5/c1-6-27-19(25)21(26)18(24)14-13(9-11(4)16(22)17(14)23)15-12(10(2)3)7-8-20(15,21)5/h9-10,12,15,23,26H,6-8H2,1-5H3/t12-,15-,20-,21-/m1/s1
InChIKeyNPRIGBNLHQGNEN-SFHVWHCOSA-N
Species of MetaboliteComponentSourceComments
Hamigera (ncbitaxon:39196) - PubMed (23925673)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Hamigeran A ethyl ester (CHEBI:199741) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
ethyl (1R,3aR,4R,9bR)-7-bromo-4,6-dihydroxy-3a,8-dimethyl-5-oxo-1-propan-2-yl-1,2,3,9b-tetrahydrocyclopenta[a]naphthalene-4-carboxylate
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78439609ChemSpider