EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204228 - Biselyngbyaside C

Default Structure
ChEBI IDCHEBI:204228
ChEBI NameBiselyngbyaside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O11
Net Charge0
Average Mass636.779
Monoisotopic Mass636.35096
SMILESC/C=C/C/C(C)=C\[C@H]1C[C@H]2C=C[C@H](C[C@H](C)/C=C(\C)[C@@H](OC)C/C=C/[C@@H](O[C@@H]3O[C@H](OC)[C@@H](O)[C@H](OC)[C@H]3O)CC(=O)O1)OO2
InChIInChI=1S/C34H52O11/c1-8-9-11-21(2)17-27-19-26-15-14-25(44-45-26)18-22(3)16-23(4)28(38-5)13-10-12-24(20-29(35)41-27)42-34-31(37)32(39-6)30(36)33(40-7)43-34/h8-10,12,14-17,22,24-28,30-34,36-37H,11,13,18-20H2,1-7H3/b9-8+,12-10+,21-17-,23-16+/t22-,24-,25-,26-,27+,28+,30+,31-,32+,33+,34-/m1/s1
InChIKeyLSUQAKBDEGPAPB-IOVDIQJJSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - DOI (10.1016/j.tet.2012.05.038)
ChEBI Ontology
Outgoing Relation(s)
Biselyngbyaside C (CHEBI:204228) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3R,7S,8E,11S,12E,14S,16S)-7-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4,6-dimethoxyoxan-2-yl]oxy-11-methoxy-12,14-dimethyl-3-[(1Z,4E)-2-methylhexa-1,4-dienyl]-4,17,18-trioxabicyclo[14.2.2]icosa-8,12,19-trien-5-one