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Alkaloid RC

PropertiesImage
MNX_IDMNXM118919 Image of MNXM118919
referencechebi:191551
formulaC26H29NO11
global charge0
mol weight531.514
InChIKeyLOJGKLLTOGPATF-UHFFFAOYSA-N
InChIInChI=1S/C26H29NO11/c1-27-5-4-11-6-15-16(34-9-33-15)7-13(11)23-19(27)12-2-3-14-24(35-10-32-14)18(12)25(37-23)38-26-22(31)21(30)20(29)17(8-28)36-26/h2-3,6-7,17,19-23,25-26,28-31H,4-5,8-10H2,1H3
SMILESCN1CCC2=C(C=C3OCOC3=C2)C2OC(OC3OC(CO)C(O)C(O)C3O)C3=C(C=CC4=C3OCO4)C21
MNX internals
InChI (mnx)InChI=1/C26H29NO11/c1-27-5-4-11-6-15-16(34-9-33-15)7-13(11)23-19(27)12-2-3-14-24(35-10-32-14)18(12)25(37-23)38-26-22(31)21(30)20(29)17(8-28)36-26/h2-3,6-7,17,19-23,25-26,28-31H,4-5,8-10H2,1H3/t17?,19?,20?,21?,22?,23?,25?,26? Image of MNXM118919
SMILES (mnx)[CH3:1][N:27]1[CH2:5][CH2:4][C:11]2=[CH:6][C:15]3=[C:16]([CH:7]=[C:13]2[CH:23]2[CH:19]1[C:12]1=[C:18]([C:24]4=[C:14]([CH:3]=[CH:2]1)[O:32][CH2:10][O:35]4)[CH:25]([O:38][CH:26]1[CH:22]([OH:31])[CH:21]([OH:30])[CH:20]([OH:29])[CH:17]([CH2:8][OH:28])[O:36]1)[O:37]2)[O:34][CH2:9][O:33]3
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:191551
chebi:191551
LOJGKLLTOGPATF-UHFFFAOYSA-N
Alkaloid RC
2-(hydroxymethyl)-6-[(13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-yl)oxy]oxane-3,4,5-triol
hmdb:HMDB0029361
LOJGKLLTOGPATF-UHFFFAOYSA-N
Alkaloid RC
2-(hydroxymethyl)-6-({13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-yl}oxy)oxane-3,4,5-triol

hmdb:HMDB29361
secondary/obsolete/fantasy identifier