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CHEBI:217272 - Alternapyrone E

ChEBI IDCHEBI:217272
ChEBI NameAlternapyrone E
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SubmitterMetaboLights
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FormulaC28H40O7
Net Charge0
Average Mass488.621
Monoisotopic Mass488.27740
SMILESCC(=CC(CCC[C@]1(CO)C=C(C)[C@H](C)O1)C(=O)O)C=C(C)CC(C)c1oc(=O)c(C)c(O)c1C
InChIInChI=1S/C28H40O7/c1-16(12-18(3)25-20(5)24(30)21(6)27(33)34-25)11-17(2)13-23(26(31)32)9-8-10-28(15-29)14-19(4)22(7)35-28/h11,13-14,18,22-23,29-30H,8-10,12,15H2,1-7H3,(H,31,32)/t18?,22-,23?,28+/m0/s1
InChIKeyKVOSGCOKGACRAO-NZDSKQBCSA-N
Species of MetaboliteComponentSourceComments
Parastagonospora nodorum (ncbitaxon:13684) - PubMed (30226784)
ChEBI Ontology
Outgoing Relation(s)
Alternapyrone E (CHEBI:217272) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
8-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-2-[3-[(2S,5R)-5-(hydroxymethyl)-2,3-dimethyl-2H-uran-5-yl]propyl]-4,6-dimethylnona-3,5-dienoic acid
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78441767ChemSpider