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CHEBI:218370 - Pestalpolyol H

ChEBI IDCHEBI:218370
ChEBI NamePestalpolyol H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O4
Net Charge0
Average Mass448.688
Monoisotopic Mass448.35526
SMILESCCC(=O)/C(C)=C/[C@H](C)[C@H](O)/C(C)=C/[C@H](C)[C@H](O)/C(C)=C/[C@H](C)[C@H](O)/C(C)=C/[C@@H](C)CC
InChIInChI=1S/C28H48O4/c1-11-17(3)13-19(5)26(30)21(7)15-23(9)28(32)24(10)16-22(8)27(31)20(6)14-18(4)25(29)12-2/h13-17,20-21,24,26-28,30-32H,11-12H2,1-10H3/b18-14+,19-13+,22-16+,23-15+/t17-,20-,21-,24-,26+,27-,28+/m0/s1
InChIKeyMFSKGDFHTCLHJG-OXOPWONBSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies PG52 (ncbitaxon:1571112) - PubMed (26227504)
ChEBI Ontology
Outgoing Relation(s)
Pestalpolyol H (CHEBI:218370) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4E,6S,7S,8E,10S,11S,12E,14S,15S,16E,18S)-7,11,15-trihydroxy-4,6,8,10,12,14,16,18-octamethylicosa-4,8,12,16-tetraen-3-one
Manual XrefsDatabases
78441555ChemSpider