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CHEBI:204855 - Linearolide B

ChEBI IDCHEBI:204855
ChEBI NameLinearolide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC42H71NO12
Net Charge0
Average Mass782.025
Monoisotopic Mass781.49763
SMILESCCC1(O)OC(/C(=C/C(C)C(/C=C/C(C)(O)C2CCC(OC)C2/C=C/C(C)=C/C(C)C(C)O)OC2CC(NC(C)=O)C(O)C(C)O2)OC)C(C)C(O)C1OC
InChIInChI=1S/C42H71NO12/c1-13-42(49)40(52-12)37(46)26(5)39(55-42)35(51-11)21-25(4)33(54-36-22-32(43-29(8)45)38(47)28(7)53-36)18-19-41(9,48)31-16-17-34(50-10)30(31)15-14-23(2)20-24(3)27(6)44/h14-15,18-21,24-28,30-34,36-40,44,46-49H,13,16-17,22H2,1-12H3,(H,43,45)/b15-14+,19-18+,23-20+,35-21-
InChIKeySMECHXUTPAWAAL-AEDBYURDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RK95-74 (ncbitaxon:1934390) - PubMed (23531987)
ChEBI Ontology
Outgoing Relation(s)
Linearolide B (CHEBI:204855) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
N-[6-[(1Z,5E)-1-(6-ethyl-4,6-dihydroxy-5-methoxy-3-methyloxan-2-yl)-7-hydroxy-7-[2-[(1E,3E)-6-hydroxy-3,5-dimethylhepta-1,3-dienyl]-3-methoxycyclopentyl]-1-methoxy-3-methylocta-1,5-dien-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]acetamide
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