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CHEBI:218400 - Pestalpolyol F

ChEBI IDCHEBI:218400
ChEBI NamePestalpolyol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O5
Net Charge0
Average Mass464.687
Monoisotopic Mass464.35017
SMILESC/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)CC
InChIInChI=1S/C28H48O5/c1-11-16(3)25(30)17(4)13-18(5)26(31)19(6)14-20(7)27(32)21(8)15-22(9)28(33)23(10)24(29)12-2/h11,13-15,17,19,21,23,25-28,30-33H,12H2,1-10H3/b16-11+,18-13+,20-14+,22-15+/t17-,19-,21-,23-,25+,26+,27+,28+/m0/s1
InChIKeyUDBCKHVMMVRQSN-GGDQHVOISA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies PG52 (ncbitaxon:1571112) - PubMed (26227504)
ChEBI Ontology
Outgoing Relation(s)
Pestalpolyol F (CHEBI:218400) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4R,5S,6E,8S,9S,10E,12S,13S,14E,16S,17S,18E)-5,9,13,17-tetrahydroxy-4,6,8,10,12,14,16,18-octamethylicosa-6,10,14,18-tetraen-3-one
Manual XrefsDatabases
78441557ChemSpider