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6-hydroxytryprostatin B

MNXM118443 is deprecated and replaced by MNXM1100310
PropertiesImage
MNX_IDMNXM1100310 Image of MNXM1100310
referencechebi:72762
formulaC21H25N3O3
global charge0
mol weight367.449
InChIKeyCBQDILZSSFDSDL-OALUTQOASA-N
InChIInChI=1S/C21H25N3O3/c1-12(2)5-8-16-15(14-7-6-13(25)10-17(14)22-16)11-18-21(27)24-9-3-4-19(24)20(26)23-18/h5-7,10,18-19,22,25H,3-4,8-9,11H2,1-2H3,(H,23,26)/t18-,19-/m0/s1
SMILESCC(C)=CCC1=C(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C2=C(C=C(O)C=C2)N1
MNX internals
InChI (mnx)InChI=1/C21H25N3O3/c1-12(2)5-8-16-15(14-7-6-13(25)10-17(14)22-16)11-18-21(27)24-9-3-4-19(24)20(26)23-18/h5-7,10,18-19,22,25H,3-4,8-9,11H2,1-2H3,(H,23,26)/t18-,19-/m0/s1 Image of MNXM1100310
SMILES (mnx)[CH3:1][C:12]([CH3:2])=[CH:5][CH2:8][C:16]1=[C:15]([CH2:11][C@H:18]2[C:21](=[O:27])[N:24]3[CH2:9][CH2:3][CH2:4][C@H:19]3[C:20]([OH:26])=[N:23]2)[C:14]2=[C:17]([CH:10]=[C:13]([OH:25])[CH:6]=[CH:7]2)[NH:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72762
chebi:72762
CBQDILZSSFDSDL-OALUTQOASA-N 		6-hydroxytryprostatin B
(3S,8aS)-3-{[6-hydroxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
desmethyltryprostatin A

seed.compound:cpd31156
seedM:cpd31156
CBQDILZSSFDSDL-OALUTQOASA-N 		6-Hydroxytryprostatin B
6-hydroxytryprostatin B
Desmethyltryprostatin A
desmethyltryprostatin A

kegg.compound:C20513
keggC:C20513
CBQDILZSSFDSDL-OALUTQOASA-N 		6-Hydroxytryprostatin B
Desmethyltryprostatin A

metacyc.compound:CPD-15264
metacycM:CPD-15264
CBQDILZSSFDSDL-OALUTQOASA-N 		6-hydroxytryprostatin B
desmethyltryprostatin A

keggC:M_C20513
seedM:M_cpd31156 		secondary/obsolete/fantasy identifier