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CHEBI:226337 - Biselyngbyaside D

ChEBI IDCHEBI:226337
ChEBI NameBiselyngbyaside D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O11
Net Charge0
Average Mass636.779
Monoisotopic Mass636.35096
SMILESC=C1[C@@H](OC)CC=C[C@@H](O[C@@H]2O[C@H](OC)[C@@H](O)[C@H](OC)[C@H]2O)CC(=O)O[C@@H](C=C(C)CC=CC)CC=CC=CC[C@H](C)[C@@H]1OO
InChIInChI=1S/C34H52O11/c1-8-9-15-22(2)20-25-17-13-11-10-12-16-23(3)31(45-38)24(4)27(39-5)19-14-18-26(21-28(35)42-25)43-34-30(37)32(40-6)29(36)33(41-7)44-34/h8-14,18,20,23,25-27,29-34,36-38H,4,15-17,19,21H2,1-3,5-7H3/t23-,25+,26+,27-,29-,30+,31-,32-,33-,34+/m0/s1
InChIKeyRFCKHGOUNFHNRF-FUZIRPQPSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - DOI (10.1016/j.tet.2012.05.038)
ChEBI Ontology
Outgoing Relation(s)
Biselyngbyaside D (CHEBI:226337) is a macrolide (CHEBI:25106)
IUPAC Name 
(4S,8S,10S,11S,18R)-4-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-4,6-dimethoxyoxan-2-yl]oxy-10-hydroperoxy-8-methoxy-11-methyl-18-(2-methylhexa-1,4-dienyl)-9-methylidene-1-oxacyclooctadeca-5,13,15-trien-2-one