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CHEBI:209888 - Nhatrangin B

ChEBI IDCHEBI:209888
ChEBI NameNhatrangin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31BrO8
Net Charge0
Average Mass491.375
Monoisotopic Mass490.12023
SMILESCOC(CC[C@H](C)[C@@H](OC(=O)C[C@@H](O)[C@@H](C)O)[C@@H](C)C(=O)O)c1cc(O)ccc1Br
InChIInChI=1S/C21H31BrO8/c1-11(5-8-18(29-4)15-9-14(24)6-7-16(15)22)20(12(2)21(27)28)30-19(26)10-17(25)13(3)23/h6-7,9,11-13,17-18,20,23-25H,5,8,10H2,1-4H3,(H,27,28)/t11-,12+,13+,17+,18?,20+/m0/s1
InChIKeyZMDNPAXGEYVRDA-LYLINXQFSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (20373744)
ChEBI Ontology
Outgoing Relation(s)
Nhatrangin B (CHEBI:209888) is a benzyl ether (CHEBI:59859)
IUPAC Name 
(2R,3R,4S)-7-(2-bromo-5-hydroxyphenyl)-3-[(3R,4R)-3,4-dihydroxypentanoyl]oxy-7-methoxy-2,4-dimethylheptanoic acid
Manual XrefsDatabases
78437407ChemSpider