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intermedine

PropertiesImage
MNX_IDMNXM57540 Image of MNXM57540
referencechebi:5941
formulaC15H25NO5
global charge0
mol weight299.367
InChIKeySFVVQRJOGUKCEG-OPQSFPLASA-N
InChIInChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+/m1/s1
SMILESCC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)[C@@H](C)O
MNX internals
InChI (mnx)InChI=1/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+/m1/s1 Image of MNXM57540
SMILES (mnx)[CH3:1][CH:9]([CH3:2])[C@:15]([C@@H:10]([CH3:3])[OH:17])([C:14](=[O:19])[O:21][CH2:8][C:11]1=[CH:4][CH2:6][N:16]2[CH2:7][CH2:5][C@@H:12]([OH:18])[C@@H:13]12)[OH:20]
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

CHEBI:5941
chebi:5941
SFVVQRJOGUKCEG-OPQSFPLASA-N 		intermedine
9-(+)-Trachelanthylretronecine
Intermedina
Intermedine
Intermedinum
[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-isopropylbutanoate
beta-MSH

seed.compound:cpd07219
seedM:cpd07219
kegg.compound:C10330
keggC:C10330
SFVVQRJOGUKCEG-OPQSFPLASA-N
SFVVQRJOGUKCEG-OPQSFPLASA-O 		Intermedine
9-(+)-Trachelanthylretronecine

keggC:M_C10330
seedM:M_cpd07219 		secondary/obsolete/fantasy identifier