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rotenone

MNXM6425 is deprecated and replaced by MNXM1140728
PropertiesImage
MNX_IDMNXM1140728 Image of MNXM1140728
referencechebi:28201
formulaC23H22O6
global charge0
mol weight394.423
InChIKeyJUVIOZPCNVVQFO-HBGVWJBISA-N
InChIInChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
SMILESC=C(C)[C@H]1CC2=C(C=CC3=C2O[C@@H]2COC4=C(C=C(OC)C(OC)=C4)[C@@H]2C3=O)O1
MNX internals
InChI (mnx)InChI=1/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 Image of MNXM1140728
SMILES (mnx)[CH2:1]=[C:11]([CH3:2])[C@H:16]1[CH2:8][C:14]2=[C:15]([CH:6]=[CH:5][C:12]3=[C:23]2[O:29][C@@H:20]2[CH2:10][O:27][C:17]4=[CH:9][C:19]([O:26][CH3:4])=[C:18]([O:25][CH3:3])[CH:7]=[C:13]4[C@@H:21]2[C:22]3=[O:24])[O:28]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28201
chebi:28201
JUVIOZPCNVVQFO-HBGVWJBISA-N 		rotenone
(-)-cis-rotenone
(-)-rotenone
(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one
(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one
5'beta-rotenone
Derris
Rotenone
[2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one
barbasco
canex
dactinol
noxfire
paraderil
tubatoxin

kegg.compound:C07593
keggC:C07593
JUVIOZPCNVVQFO-HBGVWJBISA-N 		Rotenone
hmdb:HMDB0034436
JUVIOZPCNVVQFO-HBGVWJBISA-N 		Rotenone
(-)-Rotenone
(-)-cis-Rotenone
(1S,6R,13S)-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{14,19}]henicosa-3,8,10,14(19),15,17-hexaen-12-one
1,2,12,12a-tetrahydro-8,9-Dimethoxy-2-(1-methylethenyl)-[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6ah)-one, 9ci
5'b-Rotenone
5'beta-Rotenone
5'beta-rotenone
Barbasco
Canex
Dactinol
Derrin
Derris
Derris, jmaf
Dri-kil
Nicouline
Noxfire
Noxfish
Paraderil
Tubatoxin
Tubotoxin
[2R-(2a,6Aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6ah)-one
[2R-(2alpha,6Aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6ah)-one
[2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6ah)-one

lipidmaps:LMPK12060007
lipidmapsM:LMPK12060007
JUVIOZPCNVVQFO-HBGVWJBISA-N 		Rotenone
(2R,6aS,12aS)-1,2,6,6a,12,12a- hexahydro-2-isopropenyl-8,9- dimethoxychromeno[3,4-b] furo(2,3-h)chromen-6-one
Tubotoxin

seed.compound:cpd04758
seedM:cpd04758
JUVIOZPCNVVQFO-HBGVWJBISA-N 		Rotenone
rotenone

envipath:...8a5f77d160f5
envipathM:...8a5f77d160f5
JUVIOZPCNVVQFO-HBGVWJBISA-N 		compound 0063342

metacyc.compound:CPD-5741
metacycM:CPD-5741
JUVIOZPCNVVQFO-HBGVWJBISA-N 		rotenone

hmdb:HMDB34436
chebi:26583
chebi:8897
keggC:M_C07593
seedM:M_cpd04758 		secondary/obsolete/fantasy identifier