CHEBI:167688 - fumigatonoid B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name fumigatonoid B
ChEBI ID CHEBI:167688
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C25H36O8
Net Charge 0
Average Mass 464.555
Monoisotopic Mass 464.24102
InChI InChI=1S/C25H36O8/c1-13-7-8-15-20(3,4)30-16(26)9-10-23(15)12-29-33-25-21(5,11-24(13,23)32-25)14(2)17-18(27)22(25,6)31-19(17)28/h13-15,17-18,27H,7-12H2,1-6H3/t13-,14-,15-,17+,18-,21+,22+,23+,24-,25-/m0/s1
InChIKey YEXJTWSPGCSJNA-WYVMSHAGSA-N
SMILES [C@@]123[C@](CC[C@@H]([C@]14O[C@@]5([C@](C4)([C@H]([C@@]6([C@@H]([C@]5(OC6=O)C)O)[H])C)C)OOC2)C)([H])C(OC(CC3)=O)(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via meroterpenoid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing fumigatonoid B (CHEBI:167688) is a meroterpenoid (CHEBI:64419)
fumigatonoid B (CHEBI:167688) is a organic heteropolycyclic compound (CHEBI:38166)
Synonym Source
fumigatonoid B UniProt
Citation Waiting for Citations Type Source
29968715 PubMed citation SUBMITTER