CHEBI:9023 - santamarin

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ChEBI Name santamarin ChEBI ID CHEBI:9023 Definition A sesquiterpene lactone of the eudesmanolide group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:244416 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H20O3 Net Charge 0 Average Mass 248.31750 Monoisotopic Mass 248.14124 InChI InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1 InChIKey PLSSEPIRACGCBO-PFFFPCNUSA-N SMILES [H][C@@]12[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@]1(C)[C@H](O)CC=C2C ChEBI Ontology Outgoing santamarin (CHEBI:9023) is a sesquiterpene lactone (CHEBI:37667) IUPAC Name (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one Synonyms Sources (+)-santamarine ChEBI (3aS)-2,3,3aβ,4,5,5a,6,7,9aβ,9bα-Decahydro-6α-hydroxy-5aα,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2-one ChEBI (3aS,5aR,6R,9aS,9bS)-6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydro-3H-naphtho[1,2-b]furan-2-one ChEMBL (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one ChEBI Balchanin ChemIDplus santamarin ChEMBL Santamarin KEGG COMPOUND santamarine ChEBI Manual Xrefs Databases C00003363 KNApSAcK C09544 KEGG COMPOUND View more database links Registry Numbers Types Sources 1287299 Beilstein Registry Number Beilstein 4290-13-5 CAS Registry Number KEGG COMPOUND 4290-13-5 CAS Registry Number ChemIDplus Citation Type Source 6476889 PubMed citation Europe PMC Last Modified 28 July 2014