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(2S)-7-methylcarthamidin

PropertiesImage
MNX_IDMNXM148984 Image of MNXM148984
referencechebi:192815
formulaC16H14O6
global charge0
mol weight302.282
InChIKeyNTPLIZCSFKSXCB-NSHDSACASA-N
InChIInChI=1S/C16H14O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-5,7,11,17,19-20H,6H2,1H3/t11-/m0/s1
SMILESCOC1=C(O)C(O)=C2C(=O)C[C@@H](C3=CC=C(O)C=C3)OC2=C1
MNX internals
InChI (mnx)InChI=1/C16H14O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-5,7,11,17,19-20H,6H2,1H3/t11-/m0/s1 Image of MNXM148984
SMILES (mnx)[CH3:1][O:21][C:13]1=[C:15]([OH:19])[C:16]([OH:20])=[C:14]2[C:10](=[O:18])[CH2:6][C@@H:11]([C:8]3=[CH:3][CH:5]=[C:9]([OH:17])[CH:4]=[CH:2]3)[O:22][C:12]2=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:192815
chebi:192815
NTPLIZCSFKSXCB-NSHDSACASA-N 		(2S)-7-methylcarthamidin
(2S)-carthamidin-7-methyl ether

seed.compound:cpd33834
seedM:cpd33834
NTPLIZCSFKSXCB-NSHDSACASA-N 		5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-
carthamidin-7-methyl ether

metacyc.compound:CPD-15634
metacycM:CPD-15634
NTPLIZCSFKSXCB-NSHDSACASA-N 		carthamidin-7-methyl ether
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-

seedM:M_cpd33834 		secondary/obsolete/fantasy identifier