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terpendole G

MNXM146629 is deprecated and replaced by MNXM1100342
PropertiesImage
MNX_IDMNXM1100342 Image of MNXM1100342
referencechebi:144401
formulaC28H37NO4
global charge0
mol weight451.607
InChIKeyBKWWGNDKMSPYIS-KYYKPQATSA-N
InChIInChI=1S/C28H37NO4/c1-25(2,32)23-14-21(31)28(15-30)20-10-9-16-13-18-17-7-5-6-8-19(17)29-24(18)27(16,4)26(20,3)12-11-22(28)33-23/h5-8,15-16,20-23,29,31-32H,9-14H2,1-4H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1
SMILESCC(C)(O)[C@@H]1C[C@@H](O)[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC4=C(NC5=CC=CC=C54)[C@@]23C)O1
MNX internals
InChI (mnx)InChI=1/C28H37NO4/c1-25(2,32)23-14-21(31)28(15-30)20-10-9-16-13-18-17-7-5-6-8-19(17)29-24(18)27(16,4)26(20,3)12-11-22(28)33-23/h5-8,15-16,20-23,29,31-32H,9-14H2,1-4H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1 Image of MNXM1100342
SMILES (mnx)[CH3:1][C:25]([CH3:2])([C@@H:23]1[CH2:14][C@@H:21]([OH:31])[C@@:28]2([CH:15]=[O:30])[C@@H:20]3[CH2:10][CH2:9][C@H:16]4[CH2:13][C:18]5=[C:24]([C@:27]4([CH3:4])[C@@:26]3([CH3:3])[CH2:12][CH2:11][C@@H:22]2[O:33]1)[NH:29][C:19]1=[CH:8][CH:6]=[CH:5][CH:7]=[C:17]51)[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:144401
chebi:144401
BKWWGNDKMSPYIS-KYYKPQATSA-N 		terpendole G
(1S,2S,5S,7S,9R,10S,11R,14S)-9-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraene-10-carbaldehyde
Terpendole G

kegg.compound:C20586
keggC:C20586
BKWWGNDKMSPYIS-KYYKPQATSA-N 		Terpendole G

seed.compound:cpd31205
seedM:cpd31205
BKWWGNDKMSPYIS-KYYKPQATSA-N 		Terpendole G
terpendole G

metacyc.compound:CPD-17194
metacycM:CPD-17194
BKWWGNDKMSPYIS-KYYKPQATSA-N 		terpendole G

keggC:M_C20586
seedM:M_cpd31205 		secondary/obsolete/fantasy identifier