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alpha-santonin

MNXM2211 is deprecated and here replaced by MNXM732671
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732671 Image of MNXM732671
referencechebi:16363
formulaC15H18O3
global charge0
mol weight246.306
InChIKeyXJHDMGJURBVLLE-BOCCBSBMSA-N
InChIInChI=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
SMILESCC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=CC1=O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM732671
SMILES (mnx)[CH3:1][C@H:8]1[C@@H:10]2[CH2:4][CH2:6][C@@:15]3([CH3:3])[CH:7]=[CH:5][C:11](=[O:16])[C:9]([CH3:2])=[C:12]3[C@H:13]2[O:18][C:14]1=[O:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16363
chebi:16363
XJHDMGJURBVLLE-BOCCBSBMSA-N 		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
XJHDMGJURBVLLE-BOCCBSBMSA-N 		Santonin (JP18)
Santonin (TN)

kegg.compound:C02206
keggC:C02206
lipidmaps:LMPR0103190001
lipidmapsM:LMPR0103190001
XJHDMGJURBVLLE-BOCCBSBMSA-N 		alpha-Santonin

seed.compound:cpd01488
seedM:cpd01488
XJHDMGJURBVLLE-BOCCBSBMSA-N 		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