CHEBI:216852 - Ochuscin D

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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 Ochuscin D
ChEBI ID CHEBI:216852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25NO8
Net Charge 0
Average Mass 419.430
Monoisotopic Mass 419.15802
InChI InChI=1S/C21H25NO8/c1-9-16(26)14(11(3)24)18-15(17(9)27)20(4)19(28)13(10(2)22-6-7-23)12(25)8-21(20,29-5)30-18/h23,26-28H,6-8H2,1-5H3/t20-,21+/m0/s1
InChIKey LNWZVSAYZOLNGT-LEWJYISDSA-N
SMILES O=C1C(=C(O)[C@@]2(C=3C(O)=C(C)C(=C(C3O[C@@]2(C1)OC)C(=O)C)O)C)C(=NCCO)C
Metabolite of Species Details
Scolecobasidium (NCBI:txid37940) See: DOI
ChEBI Ontology
Outgoing Ochuscin D (CHEBI:216852) is a acetophenones (CHEBI:22187)
IUPAC Name
(4aR,9bS)-6-acetyl-1,7,9-trihydroxy-2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-4a-methoxy-8,9b-dimethyl-4H-dibenzouran-3-one