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tubulosine

PropertiesImage
MNX_IDMNXM13198 Image of MNXM13198
referencechebi:9775
formulaC29H37N3O3
global charge0
mol weight475.633
InChIKeyJRVWIILYWSBUMC-PRUVNFMMSA-N
InChIInChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1
SMILESCC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1NC1=C2C=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1 Image of MNXM13198
SMILES (mnx)[CH3:1][CH2:4][C@H:17]1[CH2:16][N:32]2[CH2:10][CH2:8][C:18]3=[CH:13][C:27]([O:34][CH3:2])=[C:28]([O:35][CH3:3])[CH:15]=[C:22]3[C@@H:26]2[CH2:12][C@@H:19]1[CH2:11][C@@H:25]1[C:29]2=[C:21]([CH2:7][CH2:9][NH:30]1)[C:23]1=[C:24]([CH:6]=[CH:5][C:20]([OH:33])=[CH:14]1)[NH:31]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:9775
chebi:9775
JRVWIILYWSBUMC-PRUVNFMMSA-N 		tubulosine
10,11-dimethoxytubulosan-8'-ol
Tubulosine

seed.compound:cpd06143
seedM:cpd06143
kegg.compound:C09248
keggC:C09248
JRVWIILYWSBUMC-PRUVNFMMSA-N
JRVWIILYWSBUMC-PRUVNFMMSA-P 		Tubulosine

keggC:M_C09248
seedM:M_cpd06143 		secondary/obsolete/fantasy identifier