CHEBI:69101 - Sphaeropsidin B

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ChEBI Name Sphaeropsidin B
ChEBI ID CHEBI:69101
Definition A natural product found in Diplodia cupressi.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H28O5
Net Charge 0
Average Mass 348.43330
Monoisotopic Mass 348.19367
InChI InChI=1S/C20H28O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,13-14,21,23-24H,1,6-10H2,2-4H3/t13-,14+,17+,18+,19-,20-/m1/s1
InChIKey XJXDJAQAAAVDCT-RHOFUAETSA-N
SMILES [H][C@]12C(C)(C)CCC[C@@]11C(=O)O[C@]2(O)[C@H](O)C2=C[C@](C)(CC[C@]12O)C=C
Metabolite of Species Details
Diplodia cupressi (NCBI:txid400389) of strain 261.85CBS See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Sphaeropsidin B (CHEBI:69101) has role metabolite (CHEBI:25212)
Sphaeropsidin B (CHEBI:69101) is a γ-lactone (CHEBI:37581)
Citation Waiting for Citations Type Source
22124378 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxacycle(CHEBI:38104); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:carbonyl compound(CHEBI:36586);