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CHEBI:202550 - Biselyngbyaside B

ChEBI IDCHEBI:202550
ChEBI NameBiselyngbyaside B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H54O10
Net Charge0
Average Mass622.796
Monoisotopic Mass622.37170
SMILESC/C=C/C/C(C)=C\[C@H]1C/C=C/C=C/C[C@H](C)/C=C(\C)[C@@H](OC)C[C@@H](O)C[C@@H](O[C@@H]2O[C@H](OC)[C@@H](O)[C@H](OC)[C@H]2O)CC(=O)O1
InChIInChI=1S/C34H54O10/c1-8-9-14-23(3)18-26-16-13-11-10-12-15-22(2)17-24(4)28(39-5)20-25(35)19-27(21-29(36)42-26)43-34-31(38)32(40-6)30(37)33(41-7)44-34/h8-13,17-18,22,25-28,30-35,37-38H,14-16,19-21H2,1-7H3/b9-8+,12-10+,13-11+,23-18-,24-17+/t22-,25-,26+,27+,28-,30-,31+,32-,33-,34+/m0/s1
InChIKeyVGNZCDQSHWXYFK-LOARBIBKSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - DOI (10.1016/j.tet.2012.05.038)
ChEBI Ontology
Outgoing Relation(s)
Biselyngbyaside B (CHEBI:202550) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,6S,8S,9E,11S,13E,15E,18R)-4-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4,6-dimethoxyoxan-2-yl]oxy-6-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dienyl]-1-oxacyclooctadeca-9,13,15-trien-2-one
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