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CHEBI:210745 - Lyngbyaloside B

ChEBI IDCHEBI:210745
ChEBI NameLyngbyaloside B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H49BrO10
Net Charge0
Average Mass649.616
Monoisotopic Mass648.25091
SMILESCO[C@@H]1[C@H](O)[C@@H](O[C@@H]2C[C@]3(O)CC(=O)O[C@@](C)(CC/C=C/C=C/Br)C[C@H](O)[C@@H](C)CC[C@@H](O3)[C@H]2C)O[C@H](C)[C@H]1OC
InChIInChI=1S/C30H49BrO10/c1-18-11-12-22-19(2)23(39-28-25(34)27(37-6)26(36-5)20(3)38-28)16-30(35,40-22)17-24(33)41-29(4,15-21(18)32)13-9-7-8-10-14-31/h7-8,10,14,18-23,25-28,32,34-35H,9,11-13,15-17H2,1-6H3/b8-7+,14-10+/t18-,19+,20+,21-,22+,23+,25-,26+,27+,28+,29-,30+/m0/s1
InChIKeyIFLWJWSXKDLJIN-OXMFKBHNSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (12502348)
ChEBI Ontology
Outgoing Relation(s)
Lyngbyaloside B (CHEBI:210745) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,5S,7S,8S,11R,12S,13R)-5-[(3E,5E)-6-bromohexa-3,5-dienyl]-1,7-dihydroxy-13-[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5,8,12-trimethyl-4,15-dioxabicyclo[9.3.1]pentadecan-3-one
Manual XrefsDatabases
20057398ChemSpider