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CHEBI:223391 - Setosusin

Default Structure
ChEBI IDCHEBI:223391
ChEBI NameSetosusin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O8
Net Charge0
Average Mass514.615
Monoisotopic Mass514.25667
SMILESCC(=O)O[C@@H]1CC(=O)OC(C)(C)[C@H]2CC[C@@]3(C)[C@@H](CC=C(C)[C@]34C[C@]3(OC(C)=C(C)C3=O)C(=O)O4)[C@@]21C
InChIInChI=1S/C29H38O8/c1-15-9-10-20-26(7,29(15)14-28(24(33)37-29)23(32)16(2)17(3)35-28)12-11-19-25(5,6)36-22(31)13-21(27(19,20)8)34-18(4)30/h9,19-21H,10-14H2,1-8H3/t19-,20-,21-,26+,27-,28-,29-/m1/s1
InChIKeySAYCZGIAVNNJNU-AKNVYCFDSA-N
Species of MetaboliteComponentSourceComments
Corynascus (ncbitaxon:72985) - DOI (10.1248/cpb.44.1843)
ChEBI Ontology
Outgoing Relation(s)
Setosusin (CHEBI:223391) is a carbonyl compound (CHEBI:36586)
Manual XrefsDatabases
32819091ChemSpider