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alpha-santonin

MNXM2211 is deprecated and here replaced by MNXM732671
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM732671

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₁₅H₁₈O₃

charge

mass

246.12559

reference

InChIKey

XJHDMGJURBVLLE-BOCCBSBMSA-N

InChI

InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1

SMILES

CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=CC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16363 chebi:16363	alpha-santonin (-)-Santonin (-)-alpha-Santonin (11S)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid gamma-lactone (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione 6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic acid gamma-lactone Santoninic anhydride alpha-Santonin
kegg.drug:D00154 keggD:D00154	Santonin (JP18) Santonin (TN)
kegg.compound:C02206 keggC:C02206 lipidmaps:LMPR0103190001 lipidmapsM:LMPR0103190001	alpha-Santonin
seed.compound:cpd01488 seedM:cpd01488	alpha-Santonin alpha-santonin
chebi:10331 chebi:12342 chebi:22468 chebi:26603 keggC:M_C02206 keggD:M_D00154 seedM:M_cpd01488	secondary/obsolete/fantasy identifier