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rel-(-)-(7S,7'R,8S,8'R)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan

PropertiesImage
MNX_IDMNXM108482 Image of MNXM108482
referencechebi:68166
formulaC21H26O6
global charge0
mol weight374.433
InChIKeyKBIHHHDCLJQNHG-YGGHMXSPSA-N
InChIInChI=1S/C21H26O6/c1-11-12(2)21(14-9-17(25-4)19(23)18(10-14)26-5)27-20(11)13-6-7-15(22)16(8-13)24-3/h6-12,20-23H,1-5H3/t11-,12+,20-,21+/m0/s1
SMILESCOC1=CC([C@@H]2O[C@H](C3=CC(OC)=C(O)C=C3)[C@@H](C)[C@H]2C)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/C21H26O6/c1-11-12(2)21(14-9-17(25-4)19(23)18(10-14)26-5)27-20(11)13-6-7-15(22)16(8-13)24-3/h6-12,20-23H,1-5H3/t11-,12+,20-,21+/m0/s1 Image of MNXM108482
SMILES (mnx)[CH3:1][C@H:11]1[C@@H:12]([CH3:2])[C@H:21]([C:14]2=[CH:9][C:17]([O:25][CH3:4])=[C:19]([OH:23])[C:18]([O:26][CH3:5])=[CH:10]2)[O:27][C@@H:20]1[C:13]1=[CH:8][C:16]([O:24][CH3:3])=[C:15]([OH:22])[CH:7]=[CH:6]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:68166
chebi:68166
KBIHHHDCLJQNHG-YGGHMXSPSA-N 		rel-(-)-(7S,7'R,8S,8'R)-4,4'-dihydroxy-3,3',5'-trimethoxy-7,7'-epoxylignan
rel-4-[(2R,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
hmdb:HMDB0033534
KBIHHHDCLJQNHG-UHFFFAOYSA-N 		Fragransin C1
(+)-Fragransin C1
4,4'-Dihydroxy-3,3',5-trimethoxy-7,7'-epoxylignan
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
Machilin H
ent-Fragransin C1

CHEBI:175814
chebi:175814
KBIHHHDCLJQNHG-UHFFFAOYSA-N 		Fragransin C1
4-[5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol

hmdb:HMDB33534 		secondary/obsolete/fantasy identifier