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CHEBI:209765 - Phaeospelide A

ChEBI IDCHEBI:209765
ChEBI NamePhaeospelide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O8
Net Charge0
Average Mass586.766
Monoisotopic Mass586.35057
SMILESC[C@H]1C[C@@H](O)C[C@@H](O)C/C=C\[C@@H](O)C/C=C\[C@@H](O)C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C=C/C=C\C=C/CCC(=O)O1
InChIInChI=1S/C34H50O8/c1-27-23-32(39)24-30(37)20-15-18-28(35)19-16-21-31(38)26-33(40)25-29(36)17-13-11-9-7-5-3-2-4-6-8-10-12-14-22-34(41)42-27/h2-13,15-16,18,21,27-33,35-40H,14,17,19-20,22-26H2,1H3/b4-2-,5-3-,8-6-,9-7-,12-10-,13-11-,18-15-,21-16-/t27-,28+,29-,30-,31+,32+,33-/m0/s1
InChIKeyYHGHPAXZWKFSBY-SPDHFRNRSA-N
Species of MetaboliteComponentSourceComments
Arthrinium phaeospermum (ncbitaxon:112178) - PubMed (31180682)
ChEBI Ontology
Outgoing Relation(s)
Phaeospelide A (CHEBI:209765) is a macrolide (CHEBI:25106)
IUPAC Name 
(5E,7E,9E,11E,13E,15E,18S,20S,22S,23E,26S,27E,30S,32S,34S)-18,20,22,26,30,32-hexahydroxy-34-methyl-1-oxacyclotetratriaconta-5,7,9,11,13,15,23,27-octaen-2-one