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(+)-sesamin monocatechol

PropertiesImage
MNX_IDMNXM169452 Image of MNXM169452
referencechebi:136542
formulaC19H18O6
global charge0
mol weight342.347
InChIKeyCGEORJKFOZSMEZ-MBZVMHRFSA-N
InChIInChI=1S/C19H18O6/c20-14-3-1-10(5-15(14)21)18-12-7-23-19(13(12)8-22-18)11-2-4-16-17(6-11)25-9-24-16/h1-6,12-13,18-21H,7-9H2/t12-,13-,18+,19+/m0/s1
SMILESOC1=CC=C([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3C2=CC=C3OCOC3=C2)C=C1O
MNX internals
InChI (mnx)InChI=1/C19H18O6/c20-14-3-1-10(5-15(14)21)18-12-7-23-19(13(12)8-22-18)11-2-4-16-17(6-11)25-9-24-16/h1-6,12-13,18-21H,7-9H2/t12-,13-,18+,19+/m0/s1 Image of MNXM169452
SMILES (mnx)[CH:1]1=[CH:3][C:14]([OH:20])=[C:15]([OH:21])[CH:5]=[C:10]1[C@@H:18]1[C@H:12]2[CH2:7][O:23][C@H:19]([C:11]3=[CH:6][C:17]4=[C:16]([CH:4]=[CH:2]3)[O:24][CH2:9][O:25]4)[C@H:13]2[CH2:8][O:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136542
chebi:136542
CGEORJKFOZSMEZ-MBZVMHRFSA-N 		(+)-sesamin monocatechol
(1R,2S,5R,6S)-6-(3,4-dihydroxyphenyl)-2-(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo[3,3,0]octane
4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]benzene-1,2-diol
SC-1

kegg.compound:C21801
keggC:C21801
CGEORJKFOZSMEZ-MBZVMHRFSA-N 		(+)-Demethylpiperitol
Sesamin monocatechol

metacyc.compound:CPD-19800
metacycM:CPD-19800
seed.compound:cpd32090
seedM:cpd32090
CGEORJKFOZSMEZ-MBZVMHRFSA-N 		(+)-demethylpiperitol
(+)-sesamin monocatechol

keggC:M_C21801
seedM:M_cpd32090 		secondary/obsolete/fantasy identifier