CHEBI:203945 - (+)-N-deoxymilitarinone A

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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 (+)-N-deoxymilitarinone A
ChEBI ID CHEBI:203945
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H37NO5
Net Charge 0
Average Mass 443.584
Monoisotopic Mass 443.26717
InChI InChI=1S/C26H37NO5/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-22(29)23-24(30)21(16-27-25(23)31)26(32)12-10-20(28)11-13-26/h6-9,15-17,19-20,28,32H,5,10-14H2,1-4H3,(H2,27,30,31)/b8-6+,9-7+,18-15+/t17-,19-,20?,26?/m1/s1
InChIKey CFXXFGCOVLKQAW-ZUOACUPQSA-N
SMILES O=C1NC=C(C2(O)CCC(O)CC2)C(=C1C(=O)/C=C/C=C/C(=C/[C@@H](C[C@@H](CC)C)C)/C)O
Metabolite of Species Details
Paecilomyces (NCBI:txid33202) See: PubMed
ChEBI Ontology
Outgoing (+)-N-deoxymilitarinone A (CHEBI:203945) is a monoterpenoid (CHEBI:25409)
IUPAC Name
5-(1,4-dihydroxycyclohexyl)-4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-1H-pyridin-2-one
Manual Xref Database
9779435 ChemSpider
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