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terpendole E

MNXM146628 is deprecated and replaced by MNXM1100324
PropertiesImage
MNX_IDMNXM1100324 Image of MNXM1100324
referencechebi:138863
formulaC28H39NO3
global charge0
mol weight437.624
InChIKeySVYIMXYKHRBHSG-KYYKPQATSA-N
InChIInChI=1S/C28H39NO3/c1-25(2,31)23-15-21(30)27(4)20-11-10-16-14-18-17-8-6-7-9-19(17)29-24(18)28(16,5)26(20,3)13-12-22(27)32-23/h6-9,16,20-23,29-31H,10-15H2,1-5H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1
SMILESCC(C)(O)[C@@H]1C[C@@H](O)[C@]2(C)[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/C28H39NO3/c1-25(2,31)23-15-21(30)27(4)20-11-10-16-14-18-17-8-6-7-9-19(17)29-24(18)28(16,5)26(20,3)13-12-22(27)32-23/h6-9,16,20-23,29-31H,10-15H2,1-5H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1 Image of MNXM1100324
SMILES (mnx)[CH3:1][C:25]([CH3:2])([C@@H:23]1[CH2:15][C@@H:21]([OH:30])[C@@:27]2([CH3:4])[C@@H:20]3[CH2:11][CH2:10][C@H:16]4[CH2:14][C:18]5=[C:24]([C@:28]4([CH3:5])[C@@:26]3([CH3:3])[CH2:13][CH2:12][C@@H:22]2[O:32]1)[NH:29][C:19]1=[CH:9][CH:7]=[CH:6][CH:8]=[C:17]51)[OH:31]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:138863
chebi:138863
SVYIMXYKHRBHSG-KYYKPQATSA-N 		terpendole E
Terpendole E

kegg.compound:C20536
keggC:C20536
SVYIMXYKHRBHSG-KYYKPQATSA-N 		Terpendole E

seed.compound:cpd31177
seedM:cpd31177
SVYIMXYKHRBHSG-KYYKPQATSA-N 		Terpendole E
terpendole E

metacyc.compound:CPD-16956
metacycM:CPD-16956
SVYIMXYKHRBHSG-KYYKPQATSA-N 		terpendole E

keggC:M_C20536
seedM:M_cpd31177 		secondary/obsolete/fantasy identifier