EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227670 - Biselyngbyaside E

ChEBI IDCHEBI:227670
ChEBI NameBiselyngbyaside E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O9
Net Charge0
Average Mass592.770
Monoisotopic Mass592.36113
SMILESC/C=C/C/C(C)=C\[C@H]1C/C=C/C=C/C[C@H](C)/C=C(\C)[C@@H](OC)CCC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)O1
InChIInChI=1S/C33H52O9/c1-6-7-13-23(3)19-25-15-11-9-8-10-14-22(2)18-24(4)27(39-5)17-12-16-26(20-29(35)40-25)41-33-32(38)31(37)30(36)28(21-34)42-33/h6-11,18-19,22,25-28,30-34,36-38H,12-17,20-21H2,1-5H3/b7-6+,10-8+,11-9+,23-19-,24-18+/t22-,25+,26+,27-,28+,30+,31-,32+,33+/m0/s1
InChIKeyFVQSXDZUODATAD-SCZKAFFFSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - DOI (10.1246/bcsj.20150117)
ChEBI Ontology
Outgoing Relation(s)
Biselyngbyaside E (CHEBI:227670) is a macrolide (CHEBI:25106)
IUPAC Name 
(4R,8S,9E,11S,13E,15E,18R)-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dienyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclooctadeca-9,13,15-trien-2-one
Manual XrefsDatabases
40256873ChemSpider