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Rutaretin

PropertiesImage
MNX_IDMNXM115485 Image of MNXM115485
referencechebi:192323
formulaC14H14O5
global charge0
mol weight262.261
InChIKeyFVFQELHSZVFPDZ-VIFPVBQESA-N
InChIInChI=1S/C14H14O5/c1-14(2,17)9-6-8-5-7-3-4-10(15)19-12(7)11(16)13(8)18-9/h3-5,9,16-17H,6H2,1-2H3/t9-/m0/s1
SMILESCC(C)(O)[C@@H]1CC2=C(O1)C(O)=C1OC(=O)C=CC1=C2
MNX internals
InChI (mnx)InChI=1/C14H14O5/c1-14(2,17)9-6-8-5-7-3-4-10(15)19-12(7)11(16)13(8)18-9/h3-5,9,16-17H,6H2,1-2H3/t9-/m0/s1 Image of MNXM115485
SMILES (mnx)[CH3:1][C:14]([CH3:2])([C@@H:9]1[CH2:6][C:8]2=[C:13]([C:11]([OH:16])=[C:12]3[C:7](=[CH:5]2)[CH:3]=[CH:4][C:10](=[O:15])[O:19]3)[O:18]1)[OH:17]
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:192323
chebi:192323
FVFQELHSZVFPDZ-VIFPVBQESA-N 		Rutaretin
(2S)-9-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one

CHEBI:174445
chebi:174445
FVFQELHSZVFPDZ-UHFFFAOYSA-N 		(S)-Rutaretin
9-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one
hmdb:HMDB0030882
FVFQELHSZVFPDZ-UHFFFAOYSA-N 		(S)-Rutaretin
9-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H,7H-furo[3,2-g]chromen-7-one
9-hydroxy-2-(2-hydroxypropan-2-yl)-2H,3H-furo[3,2-g]chromen-7-one

hmdb:HMDB30882 		secondary/obsolete/fantasy identifier