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Melanoxin, (-)-

PropertiesImage
MNX_IDMNXM106523 Image of MNXM106523
referencechebi:67387
formulaC17H18O5
global charge0
mol weight302.326
InChIKeyAHLYGBUCWDHKBC-XYZCENFISA-N
InChIInChI=1S/C17H18O5/c1-9-11-7-13(19)16(21-3)8-15(11)22-17(9)10-4-5-14(20-2)12(18)6-10/h4-9,17-19H,1-3H3/t9-,17-/m0/s1
SMILESCOC1=CC2=C(C=C1O)[C@H](C)[C@@H](C1=CC(O)=C(OC)C=C1)O2
MNX internals
InChI (mnx)InChI=1/C17H18O5/c1-9-11-7-13(19)16(21-3)8-15(11)22-17(9)10-4-5-14(20-2)12(18)6-10/h4-9,17-19H,1-3H3/t9-,17-/m0/s1 Image of MNXM106523
SMILES (mnx)[CH3:1][C@H:9]1[C:11]2=[CH:7][C:13]([OH:19])=[C:16]([O:21][CH3:3])[CH:8]=[C:15]2[O:22][C@@H:17]1[C:10]1=[CH:6][C:12]([OH:18])=[C:14]([O:20][CH3:2])[CH:5]=[CH:4]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:67387
chebi:67387
AHLYGBUCWDHKBC-XYZCENFISA-N
Melanoxin, (-)-
(2S,3S)-2-(3-Hydroxy-4-methoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol