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CHEBI:204567 - Pestalpolyol B

ChEBI IDCHEBI:204567
ChEBI NamePestalpolyol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42O4
Net Charge0
Average Mass406.607
Monoisotopic Mass406.30831
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(=O)CC
InChIInChI=1S/C25H42O4/c1-10-15(3)23(27)18(6)13-19(7)25(29)21(9)14-20(8)24(28)17(5)12-16(4)22(26)11-2/h10,12-14,17-18,21,23-25,27-29H,11H2,1-9H3/b15-10+,16-12+,19-13+,20-14+/t17-,18-,21-,23+,24-,25+/m0/s1
InChIKeyCNANVYFHRUYPAQ-LPQRYZSGSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies CR013 (ncbitaxon:1587512) - PubMed (26227504)
ChEBI Ontology
Outgoing Relation(s)
Pestalpolyol B (CHEBI:204567) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4E,6S,7S,8E,10S,11S,12E,14S,15S,16E)-7,11,15-trihydroxy-4,6,8,10,12,14,16-heptamethyloctadeca-4,8,12,16-tetraen-3-one
Manual XrefsDatabases
78441000ChemSpider