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12a-hydroxyrotenone

PropertiesImage
MNX_IDMNXM101376 Image of MNXM101376
referencechebi:68051
formulaC23H22O7
global charge0
mol weight410.422
InChIKeyJFVKWCYZKMUTLH-AYPBNUJASA-N
InChIInChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1
SMILESC=C(C)[C@H]1CC2=C3O[C@@H]4COC5=C(C=C(OC)C(OC)=C5)[C@]4(O)C(=O)C3=CC=C2O1
MNX internals
InChI (mnx)InChI=1/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1 Image of MNXM101376
SMILES (mnx)[CH2:1]=[C:11]([CH3:2])[C@H:16]1[CH2:7][C:13]2=[C:15]([CH:6]=[CH:5][C:12]3=[C:21]2[O:30][C@@H:20]2[CH2:10][O:28][C:17]4=[CH:9][C:19]([O:27][CH3:4])=[C:18]([O:26][CH3:3])[CH:8]=[C:14]4[C@:23]2([OH:25])[C:22]3=[O:24])[O:29]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68051
chebi:68051
JFVKWCYZKMUTLH-AYPBNUJASA-N 		12a-hydroxyrotenone
(2R,6aR,12aR)-6a-hydroxy-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
12a-Hydroxyrotenone
Rotenalone I
hmdb:HMDB0034145
JFVKWCYZKMUTLH-AYPBNUJASA-N 		(-)-cis-Rotenolone
(-)-cis-12a-Hydroxyrotenone
(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3,8,10,14(19),15,17-hexaen-12-one
1,2,12,12a-tetrahydro-6a-Hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-(2R,6ar,12ar)-[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6ah)-one
12-Hydroxyrotenone
12alpha-Hydroxyrotenone
6 alpha(beta),12 alpha(beta)-Rotenolone
6Ab,12ab-rotenolone
6a-beta,12a-beta-Rotenolone
Rotenalone
Rotenolon I
Rotenolone
Rotenolone I
Rotenolone, (2R-(2alpha,6aalpha,12aalpha))-isomer
Rotenolone, (2R-(2alpha,6aalpha,12abeta))-isomer
Rotenolone, (2R-(2alpha,6abeta,12aalpha))-isomer
rotenolone

kegg.compound:C10464
keggC:C10464
JFVKWCYZKMUTLH-AYPBNUJASA-N 		12a-Hydroxyrotenone

seed.compound:cpd07350
seedM:cpd07350
JFVKWCYZKMUTLH-AYPBNUJASA-N 		12a-Hydroxyrotenone
12-Hydroxyrotenone
[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aR,12aR)-
rotenalone
rotenolon I
rotenolone
rotenolone I

metacyc.compound:CPD-12167
metacycM:CPD-12167
JFVKWCYZKMUTLH-AYPBNUJASA-N 		rotenolone
12-Hydroxyrotenone
12a-Hydroxyrotenone
[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, (2R,6aR,12aR)-
rotenalone
rotenolon I
rotenolone I

hmdb:HMDB34145
chebi:747
keggC:M_C10464
seedM:M_cpd07350 		secondary/obsolete/fantasy identifier