CHEBI:200028 - Neocosmosin 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 Neocosmosin B
ChEBI ID CHEBI:200028
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22O6
Net Charge 0
Average Mass 334.368
Monoisotopic Mass 334.14164
InChI InChI=1S/C18H22O6/c1-11-4-2-5-13(19)6-3-7-14(20)8-12-9-15(21)10-16(22)17(12)18(23)24-11/h9-11,21-22H,2-8H2,1H3/t11-/m1/s1
InChIKey NLMDGBXIGCVRCU-LLVKDONJSA-N
SMILES O=C1O[C@@H](CCCC(=O)CCCC(CC=2C1=C(O)C=C(O)C2)=O)C
Metabolite of Species Details
Fusarium (NCBI:txid5506) See: PubMed
ChEBI Ontology
Outgoing Neocosmosin B (CHEBI:200028) is a macrolide (CHEBI:25106)
Neocosmosin B (CHEBI:200028) is a resorcinols (CHEBI:33572)
IUPAC Name
(4R)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8,12-trione
Manual Xref Database
30811308 ChemSpider
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