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CHEBI:209771 - Phaeospelide B

ChEBI IDCHEBI:209771
ChEBI NamePhaeospelide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O7
Net Charge0
Average Mass542.713
Monoisotopic Mass542.32435
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=C\C=C/C=C\C=C/C=C\C=C/CCC(=O)O1
InChIInChI=1S/C32H46O7/c1-26-23-31(37)25-30(36)21-16-19-27(33)18-15-20-29(35)24-28(34)17-13-11-9-7-5-3-2-4-6-8-10-12-14-22-32(38)39-26/h2-13,15-16,19-20,26-31,33-37H,14,17-18,21-25H2,1H3/b4-2-,5-3-,8-6-,9-7-,12-10-,13-11-,19-16-,20-15-/t26-,27-,28-,29+,30-,31+/m0/s1
InChIKeyCOXPULGEPBOWHK-UERRBWMXSA-N
Species of MetaboliteComponentSourceComments
Arthrinium phaeospermum (ncbitaxon:112178) - PubMed (31180682)
ChEBI Ontology
Outgoing Relation(s)
Phaeospelide B (CHEBI:209771) is a macrolide (CHEBI:25106)
IUPAC Name 
(5E,7E,9E,11E,13E,15E,18S,20S,21E,24S,25E,28S,30S,32S)-18,20,24,28,30-pentahydroxy-32-methyl-1-oxacyclodotriaconta-5,7,9,11,13,15,21,25-octaen-2-one