Search MNXref
 Feedback

Arundoin

PropertiesImage
MNX_IDMNXM42757 Image of MNXM42757
referencechebi:80794
formulaC31H52O
global charge0
mol weight440.756
InChIKeyMRNPHCMRIQYRFU-KXUMSINMSA-N
InChIInChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1
SMILESCO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C
MNX internals
InChI (mnx)InChI=1/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24+,25-,26+,28-,29-,30-,31+/m1/s1 Image of MNXM42757
SMILES (mnx)[CH3:1][CH:20]([CH3:2])[C@H:21]1[CH2:10][CH2:13][C@@H:25]2[C@:29]1([CH3:6])[CH2:18][CH2:19][C@:30]1([CH3:7])[C@H:23]3[CH2:11][CH2:12][C@H:24]4[C:27]([CH3:3])([CH3:4])[C@@H:26]([O:32][CH3:9])[CH2:15][CH2:16][C@:28]4([CH3:5])[C:22]3=[CH:14][CH2:17][C@@:31]21[CH3:8]
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

seed.compound:cpd17194
seedM:cpd17194
CHEBI:80794
chebi:80794
kegg.compound:C16916
keggC:C16916
MRNPHCMRIQYRFU-KXUMSINMSA-N 		Arundoin

keggC:M_C16916
seedM:M_cpd17194 		secondary/obsolete/fantasy identifier