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Sambutoxin

PropertiesImage
MNX_IDMNXM130469 Image of MNXM130469
referencechebi:180131
formulaC28H39NO4
global charge0
mol weight453.623
InChIKeyFVYDVAOTXPELMH-SPRAOHHPSA-N
InChIInChI=1S/C28H39NO4/c1-7-17(2)14-18(3)15-20(5)27-19(4)8-13-24(33-27)25-26(31)23(16-29(6)28(25)32)21-9-11-22(30)12-10-21/h9-12,15-19,24,27,30-31H,7-8,13-14H2,1-6H3/b20-15+/t17-,18+,19+,24-,27+/m0/s1
SMILESCC[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@H](C2=C(O)C(C3=CC=C(O)C=C3)=CN(C)C2=O)CC[C@H]1C
MNX internals
InChI (mnx)InChI=1/C28H39NO4/c1-7-17(2)14-18(3)15-20(5)27-19(4)8-13-24(33-27)25-26(31)23(16-29(6)28(25)32)21-9-11-22(30)12-10-21/h9-12,15-19,24,27,30-31H,7-8,13-14H2,1-6H3/b20-15+/t17-,18+,19+,24-,27+/m0/s1 Image of MNXM130469
SMILES (mnx)[CH3:1][CH2:7][C@H:17]([CH3:2])[CH2:14][C@@H:18]([CH3:3])/[CH:15]=[C:20](\[CH3:5])[C@H:27]1[C@H:19]([CH3:4])[CH2:8][CH2:13][C@@H:24]([C:25]2=[C:26]([OH:31])[C:23]([C:21]3=[CH:10][CH:12]=[C:22]([OH:30])[CH:11]=[CH:9]3)=[CH:16][N:29]([CH3:6])[C:28]2=[O:32])[O:33]1
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:180131
chebi:180131
FVYDVAOTXPELMH-SPRAOHHPSA-N 		Sambutoxin
3-[(2S,5R,6R)-6-[(E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2-one
3-[(2S,5R,6R)-6-[(E,4R,6S)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2-one

CHEBI:184933
chebi:184933
FVYDVAOTXPELMH-HMMYKYKNSA-N 		3-{6-[(2E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl}-4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-1,2-dihydropyridin-2-one
3-[6-[(E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2-one
hmdb:HMDB0041085
FVYDVAOTXPELMH-HMMYKYKNSA-N 		Sambutoxin
3-{6-[(2E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl}-4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-1,2-dihydropyridin-2-one
3-{6-[(2E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl}-4-hydroxy-5-(4-hydroxyphenyl)-1-methylpyridin-2-one

hmdb:HMDB41085 		secondary/obsolete/fantasy identifier