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CHEBI:222811 - Phomoxin B

ChEBI IDCHEBI:222811
ChEBI NamePhomoxin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O6
Net Charge0
Average Mass298.335
Monoisotopic Mass298.14164
SMILESCCCCC/C=C/C1=C(CO)[C@H]2OC(=O)O[C@H]2[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H22O6/c1-2-3-4-5-6-7-9-10(8-16)13-14(12(18)11(9)17)21-15(19)20-13/h6-7,11-14,16-18H,2-5,8H2,1H3/b7-6+/t11-,12+,13-,14+/m1/s1
InChIKeyWMCZZCUJTLXGPD-VEWCADAXSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (16242738)
ChEBI Ontology
Outgoing Relation(s)
Phomoxin B (CHEBI:222811) is a carbonate ester (CHEBI:46722)
IUPAC Name 
(3aS,4S,5R,7aR)-6-[(E)-hept-1-enyl]-4,5-dihydroxy-7-(hydroxymethyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
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9689706ChemSpider