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CHEBI:206339 - Leptolyngbyolide C

ChEBI IDCHEBI:206339
ChEBI NameLeptolyngbyolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H70O10
Net Charge0
Average Mass723.001
Monoisotopic Mass722.49690
SMILESCO[C@H]1C[C@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C(C)=C/C[C@H](O)C[C@@H]3C=CC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](OC)C[C@@H](OC)[C@@H]2C)O3)O[C@@H](C)C1
InChIInChI=1S/C41H70O10/c1-25-14-17-31(42)21-32-12-11-13-33(50-32)23-36(46-8)28(4)37(47-9)24-38(48-10)29(5)41(51-39(43)19-15-25)30(6)40(44)26(2)16-18-34-22-35(45-7)20-27(3)49-34/h11-12,14-15,19,26-38,40-42,44H,13,16-18,20-24H2,1-10H3/b19-15+,25-14+/t26-,27-,28+,29-,30-,31-,32-,33-,34-,35+,36-,37-,38+,40-,41-/m0/s1
InChIKeyXIDJAWCQNJMXID-JQKQTBLXSA-N
Species of MetaboliteComponentSourceComments
Leptolyngbyaspecies (ncbitaxon:47254) - PubMed (28422340)
ChEBI Ontology
Outgoing Relation(s)
Leptolyngbyolide C (CHEBI:206339) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3S,5E,7E,11R,12S,13R,15S,16R,17S,19S)-3-hydroxy-11-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-13,15,17-trimethoxy-6,12,16-trimethyl-10,23-dioxabicyclo[17.3.1]tricosa-5,7,21-trien-9-one
Manual XrefsDatabases
61708739ChemSpider