CHEBI:209780 - Cyclamenol 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 Cyclamenol B
ChEBI ID CHEBI:209780
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H25NO3
Net Charge 0
Average Mass 327.424
Monoisotopic Mass 327.18344
InChI InChI=1S/C20H25NO3/c1-12-4-2-3-5-16-18-13(8-9-17(23)21-11-12)6-7-14-10-15(22)20(24-16)19(14)18/h2-9,12-16,18-20,22H,10-11H2,1H3,(H,21,23)/b4-2-,5-3+,9-8+/t12-,13+,14-,15+,16-,18-,19+,20+/m0/s1
InChIKey UMVKTYCOYYLLPX-RQHWOOGZSA-N
SMILES O=C1NC[C@H](C=CC=C[C@H]2[C@@H]3[C@@H](C=C1)C=C[C@H]4C[C@H]([C@H]([C@@H]34)O2)O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Cyclamenol B (CHEBI:209780) is a oxolanes (CHEBI:26912)
IUPAC Name
(1S,2R,4R,7R,8E,13S,14Z,16E,18S,19R,20R)-2-hydroxy-13-methyl-21-oxa-11-azatetracyclo[16.2.1.04,20.07,19]henicosa-5,8,14,16-tetraen-10-one