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CHEBI:204215 - Cytosporolide B

ChEBI IDCHEBI:204215
ChEBI NameCytosporolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O8
Net Charge0
Average Mass558.712
Monoisotopic Mass558.31927
SMILESCCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@H]1[C@@H](O)/C=C(/CO)[C@H]2CC(C)(C)[C@]2(O)CC[C@]1(C)OOC3=O
InChIInChI=1S/C32H46O8/c1-6-7-8-9-10-21-13-19-14-23(34)26-18(2)25(19)28(38-21)27-24(35)15-20(17-33)22-16-30(3,4)32(22,37)12-11-31(27,5)40-39-29(26)36/h14-15,21-22,24,27-28,33-35,37H,6-13,16-17H2,1-5H3/b20-15-/t21-,22-,24+,27-,28+,31+,32+/m1/s1
InChIKeyFESKCHKMYDJROC-VIEOXVQGSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (20550214)
ChEBI Ontology
Outgoing Relation(s)
Cytosporolide B (CHEBI:204215) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(1R,2R,3S,4E,6R,9S,12S,21R)-21-hexyl-3,9,17-trihydroxy-5-(hydroxymethyl)-8,8,12,24-tetramethyl-13,14,22-trioxapentacyclo[14.6.2.02,12.06,9.019,23]tetracosa-4,16,18,23-tetraen-15-one
Manual XrefsDatabases
78437106ChemSpider