CHEBI:216137 - Mariline 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 Mariline B
ChEBI ID CHEBI:216137
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H33NO4
Net Charge 0
Average Mass 387.520
Monoisotopic Mass 387.24096
InChI InChI=1S/C23H33NO4/c1-15(2)8-7-9-16(3)10-13-28-20-14-19-18(5)24(11-12-25)23(26)21(19)22(27-6)17(20)4/h8,10,14,18,25H,7,9,11-13H2,1-6H3/t18-/m0/s1
InChIKey IDKSCTLOZOTDPO-SFHVURJKSA-N
SMILES O=C1N([C@@H](C)C=2C1=C(OC)C(=C(OCC=C(CCC=C(C)C)C)C2)C)CCO
Metabolite of Species Details
Stachylidium (NCBI:txid796327) See: PubMed
ChEBI Ontology
Outgoing Mariline B (CHEBI:216137) is a isoindoles (CHEBI:24897)
IUPAC Name
5-(3,7-dimethylocta-2,6-dienoxy)-2-(2-hydroxyethyl)-7-methoxy-3,6-dimethyl-3H-isoindol-1-one
Manual Xref Database
78435974 ChemSpider
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