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CHEBI:218124 - Pestalpolyol I

ChEBI IDCHEBI:218124
ChEBI NamePestalpolyol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O5
Net Charge0
Average Mass464.687
Monoisotopic Mass464.35017
SMILESCC[C@@H](C)C[C@H](/C=C(\C)[C@H](O)[C@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C/[C@H](O)[C@H](C)/C=C(\C)C=O)CO
InChIInChI=1S/C28H48O5/c1-9-18(2)13-25(17-30)15-24(8)28(33)23(7)14-22(6)27(32)20(4)10-11-26(31)21(5)12-19(3)16-29/h10-12,14-16,18,20-21,23,25-28,30-33H,9,13,17H2,1-8H3/b11-10+,19-12+,22-14+,24-15+/t18-,20-,21-,23-,25-,26+,27-,28-/m1/s1
InChIKeyNVPXIJZSAVUDBQ-LFHUWNPQSA-N
Species of MetaboliteComponentSourceComments
Neopestalotiopsis clavispora (ncbitaxon:289240) - DOI (10.1016/j.tetlet.2016.03.101)
ChEBI Ontology
Outgoing Relation(s)
Pestalpolyol I (CHEBI:218124) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2E,4R,5S,6E,8R,9R,10E,12R,13R,14E,16R,18R)-5,9,13-trihydroxy-16-(hydroxymethyl)-2,4,8,10,12,14,18-heptamethylicosa-2,6,10,14-tetraenal
Manual XrefsDatabases
58196699ChemSpider