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CHEBI:216928 - Phomopoxide B

ChEBI IDCHEBI:216928
ChEBI NamePhomopoxide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O6
Net Charge0
Average Mass344.448
Monoisotopic Mass344.21989
SMILESCCCCCCCC[C@H](O)/C=C\C1=C(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H32O6/c1-2-3-4-5-6-7-8-12(20)9-10-13-14(11-19)16(22)18(24)17(23)15(13)21/h9-10,12,15-24H,2-8,11H2,1H3/b10-9-/t12-,15+,16+,17-,18-/m0/s1
InChIKeyDAABLEBQAMFRQW-QSBUVSRSSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies YE3250 (ncbitaxon:1440777) - PubMed (29334729)
ChEBI Ontology
Outgoing Relation(s)
Phomopoxide B (CHEBI:216928) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
(1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(Z,3S)-3-hydroxyundec-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol