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CHEBI:208743 - Hamigeran L 11-O-methyl ester

ChEBI IDCHEBI:208743
ChEBI NameHamigeran L 11-O-methyl ester
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27BrO5
Net Charge0
Average Mass427.335
Monoisotopic Mass426.10419
SMILESCOC(=O)C[C@]1(C)CC[C@H](C(C)C)[C@@H]1c1cc(C)c(Br)c(O)c1C(=O)O
InChIInChI=1S/C20H27BrO5/c1-10(2)12-6-7-20(4,9-14(22)26-5)16(12)13-8-11(3)17(21)18(23)15(13)19(24)25/h8,10,12,16,23H,6-7,9H2,1-5H3,(H,24,25)/t12-,16-,20+/m1/s1
InChIKeyPFHVKHJUCDAVBU-RRBXVBTKSA-N
Species of MetaboliteComponentSourceComments
Hamigera (ncbitaxon:39196) - PubMed (23925673)
ChEBI Ontology
Outgoing Relation(s)
Hamigeran L 11-O-methyl ester (CHEBI:208743) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
3-bromo-2-hydroxy-6-[(1S,2S,5R)-2-(2-methoxy-2-oxoethyl)-2-methyl-5-propan-2-ylcyclopentyl]-4-methylbenzoic acid
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30771412ChemSpider