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spirobrassinin

PropertiesImage
MNX_IDMNXM115489 Image of MNXM115489
referencemetacycM:CPD-16850
formulaC11H9N2OS2
global charge-1
mol weight249.34
InChIKeyFUHQSEOSBHASCH-LLVKDONJSA-M
InChIInChI=1S/C11H10N2OS2/c1-15-10-12-6-11(16-10)7-4-2-3-5-8(7)13-9(11)14/h2-5H,6H2,1H3,(H,13,14)/p-1/t11-/m1/s1
SMILESCSC1=NC[C@@]2(S1)C1=CC=CC=C1N=C2[O-]
MNX internals
InChI (mnx)InChI=1/C11H10N2OS2/c1-15-10-12-6-11(16-10)7-4-2-3-5-8(7)13-9(11)14/h2-5H,6H2,1H3,(H,13,14)/t11-/m1/s1 Image of MNXM115489
SMILES (mnx)[CH3:1][S:15][C:10]1=[N:12][CH2:6][C@:11]2([C:7]3=[CH:4][CH:2]=[CH:3][CH:5]=[C:8]3[N:13]=[C:9]2[OH:14])[S:16]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-16850
metacycM:CPD-16850
seed.compound:cpd33641
seedM:cpd33641
FUHQSEOSBHASCH-LLVKDONJSA-M
FUHQSEOSBHASCH-LLVKDONJSA-N 		spirobrassinin
hmdb:HMDB0035974
FUHQSEOSBHASCH-UHFFFAOYSA-N 		(S)-Spirobrassinin
5'-(Methylsulphanyl)-3'H-spiro[indole-3,2'-[1,4]thiazole]-2-ol
5'-(methylsulfanyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,4]thiazole]-2-one
5'-(methylsulfanyl)-1H,3'H-spiro[indole-3,2'-[1,4]thiazole]-2-one

CHEBI:177540
chebi:177540
FUHQSEOSBHASCH-UHFFFAOYSA-N 		spiro[3H-indole-3,5'(4'H)-thiazol]-2-ol, 2'-(methylthio)-
2'-methylsulanylspiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one

hmdb:HMDB35974
seedM:M_cpd33641 		secondary/obsolete/fantasy identifier