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emindole-SB

MNXM147100 is deprecated and replaced by MNXM1100315
PropertiesImage
MNX_IDMNXM1100315 Image of MNXM1100315
referencechebi:192683
formulaC28H39NO
global charge0
mol weight405.626
InChIKeyXOLHQUYGSUGTQA-DFGZTGKASA-N
InChIInChI=1S/C28H39NO/c1-18(2)9-8-15-26(3)23-13-12-19-17-21-20-10-6-7-11-22(20)29-25(21)28(19,5)27(23,4)16-14-24(26)30/h6-7,9-11,19,23-24,29-30H,8,12-17H2,1-5H3/t19-,23-,24-,26-,27-,28+/m0/s1
SMILESCC(C)=CCC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1CC3=C(NC4=CC=CC=C43)[C@@]12C
MNX internals
InChI (mnx)InChI=1/C28H39NO/c1-18(2)9-8-15-26(3)23-13-12-19-17-21-20-10-6-7-11-22(20)29-25(21)28(19,5)27(23,4)16-14-24(26)30/h6-7,9-11,19,23-24,29-30H,8,12-17H2,1-5H3/t19-,23-,24-,26-,27-,28+/m0/s1 Image of MNXM1100315
SMILES (mnx)[CH3:1][C:18]([CH3:2])=[CH:9][CH2:8][CH2:15][C@@:26]1([CH3:3])[C@@H:23]2[CH2:13][CH2:12][C@H:19]3[CH2:17][C:21]4=[C:25]([C@:28]3([CH3:5])[C@@:27]2([CH3:4])[CH2:16][CH2:14][C@@H:24]1[OH:30])[NH:29][C:22]1=[CH:11][CH:7]=[CH:6][CH:10]=[C:20]41
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192683
chebi:192683
XOLHQUYGSUGTQA-DFGZTGKASA-N 		emindole-SB
emindole SB

kegg.compound:C20527
keggC:C20527
XOLHQUYGSUGTQA-DFGZTGKASA-N 		Emindole SB

seed.compound:cpd31168
seedM:cpd31168
XOLHQUYGSUGTQA-DFGZTGKASA-N 		Emindole SB
emindole-SB

metacyc.compound:CPD-16738
metacycM:CPD-16738
XOLHQUYGSUGTQA-DFGZTGKASA-N 		emindole-SB

keggC:M_C20527
seedM:M_cpd31168 		secondary/obsolete/fantasy identifier