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6-Desmethyl-griseofulvin

PropertiesImage
MNX_IDMNXM118390 Image of MNXM118390
referencechebi:208300
formulaC16H15ClO6
global charge0
mol weight338.743
InChIKeySYNGDIBHUPXIQA-QZTNRIJFSA-N
InChIInChI=1S/C16H15ClO6/c1-7-4-8(18)5-11(22-3)16(7)15(20)12-10(21-2)6-9(19)13(17)14(12)23-16/h5-7,19H,4H2,1-3H3/t7-,16+/m1/s1
SMILESCOC1=CC(O)=C(Cl)C2=C1C(=O)[C@@]1(O2)C(OC)=CC(=O)C[C@H]1C
MNX internals
InChI (mnx)InChI=1/C16H15ClO6/c1-7-4-8(18)5-11(22-3)16(7)15(20)12-10(21-2)6-9(19)13(17)14(12)23-16/h5-7,19H,4H2,1-3H3/t7-,16+/m1/s1 Image of MNXM118390
SMILES (mnx)[CH3:1][C@@H:7]1[CH2:4][C:8](=[O:18])[CH:5]=[C:11]([O:22][CH3:3])[C@:16]12[C:15](=[O:20])[C:12]1=[C:10]([O:21][CH3:2])[CH:6]=[C:9]([OH:19])[C:13]([Cl:17])=[C:14]1[O:23]2
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:208300
chebi:208300
SYNGDIBHUPXIQA-QZTNRIJFSA-N 		6-Desmethyl-griseofulvin
(2S,5'R)-7-chloro-6-hydroxy-3',4-dimethoxy-5'-methylspiro[1-benzouran-2,4'-cyclohex-2-ene]-1',3-dione
hmdb:HMDB0041813
SYNGDIBHUPXIQA-UHFFFAOYSA-N 		6-Demethylgriseofulvin
6-Desmethylgriseofulvin
7-chloro-6-hydroxy-2',4-dimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione
7-chloro-6-hydroxy-2',4-dimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione

CHEBI:230810
chebi:230810
SYNGDIBHUPXIQA-UHFFFAOYSA-N 		6-demethylgriseofulvin
7-chloro-6-hydroxy-3',4-dimethoxy-5'-methylspiro[1-benzouran-2,4'-cyclohex-2-ene]-1',3-dione

hmdb:HMDB41813 		secondary/obsolete/fantasy identifier