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(1R,3S)-1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-2-benzopyran-5,6-diol

PropertiesImage
MNX_IDMNXM169742 Image of MNXM169742
referencechebi:103966
formulaC16H17NO3
global charge0
mol weight271.316
InChIKeySUHGRZPINGKYNV-GJZGRUSLSA-N
InChIInChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1
SMILESNC[C@@H]1O[C@H](C2=CC=CC=C2)CC2=C1C=CC(O)=C2O
MNX internals
InChI (mnx)InChI=1/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1 Image of MNXM169742
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:10]([C@@H:14]2[CH2:8][C:12]3=[C:11]([CH:6]=[CH:7][C:13]([OH:18])=[C:16]3[OH:19])[C@H:15]([CH2:9][NH2:17])[O:20]2)[CH:5]=[CH:3]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:103966
chebi:103966
SUHGRZPINGKYNV-GJZGRUSLSA-N
(1R,3S)-1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-2-benzopyran-5,6-diol
hmdb:HMDB0247720
SUHGRZPINGKYNV-UHFFFAOYSA-N
5,6-Dihydroxy-3-phenyl-1-aminomethylisochroman
1-(aminomethyl)-3-phenyl-3,4-dihydro-1H-2-benzopyran-5,6-diol