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CHEBI:209436 - Fusariumester B

ChEBI IDCHEBI:209436
ChEBI NameFusariumester B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O10
Net Charge0
Average Mass648.834
Monoisotopic Mass648.38735
SMILESCC(=C\C(=O)O)/C=C(\C)C[C@H](C)CCCC[C@H](OC(=O)/C=C(C)/C=C(\C)C[C@H](C)CCCC[C@H]1OC(=O)[C@@H]1CO)[C@H](CO)C(=O)O
InChIInChI=1S/C36H56O10/c1-23(15-25(3)17-27(5)19-33(39)40)11-7-9-13-31(29(21-37)35(42)43)45-34(41)20-28(6)18-26(4)16-24(2)12-8-10-14-32-30(22-38)36(44)46-32/h17-20,23-24,29-32,37-38H,7-16,21-22H2,1-6H3,(H,39,40)(H,42,43)/b25-17+,26-18+,27-19+,28-20+/t23-,24-,29+,30-,31+,32-/m1/s1
InChIKeyFYSIXOPMFQMEHK-BMAPQGJISA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (30513984)
ChEBI Ontology
Outgoing Relation(s)
Fusariumester B (CHEBI:209436) has functional parent tetracarboxylic acid (CHEBI:35742)
Fusariumester B (CHEBI:209436) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2E,4E,7R,12S,13S)-13-(hydroxymethyl)-12-[(2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoyl]oxy-3,5,7-trimethyltetradeca-2,4-dienedioic acid
Manual XrefsDatabases
71048634ChemSpider