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emodin

PropertiesImage
MNX_IDMNXM11485 Image of MNXM11485
referencechebi:77659
formulaC15H9O5
global charge-1
mol weight269.232
InChIKeyRHMXXJGYXNZAPX-UHFFFAOYSA-M
InChIInChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3/p-1
SMILESCC1=CC2=C(C(=O)C3=C(C=C([O-])C=C3O)C2=O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 Image of MNXM11485
SMILES (mnx)[CH3:1][C:6]1=[CH:2][C:8]2=[C:12]([C:10]([OH:17])=[CH:3]1)[C:15](=[O:20])[C:13]1=[C:11]([OH:18])[CH:5]=[C:7]([OH:16])[CH:4]=[C:9]1[C:14]2=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77659
chebi:77659
RHMXXJGYXNZAPX-UHFFFAOYSA-M 		emodin
4,5-dihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate
emodin(1-)

sabiork.compound:12428
sabiorkM:12428
kegg.compound:C10343
keggC:C10343
RHMXXJGYXNZAPX-UHFFFAOYSA-N 		Emodin
hmdb:HMDB0035214
RHMXXJGYXNZAPX-UHFFFAOYSA-N 		Emodin
1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone
1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione
1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione, 9ci
1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone
1,3,8-Trihydroxy-6-methylanthra-9,10-quinone
1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione
3-METHYL-1,6,8-trihydroxyanthraquinone
4,5,7-Trihydroxy-2-methylanthraquinone
6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione
6-Methyl-1,3,8-trihydroxyanthraquinone
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9ci)
Archin
Emodin, frangula
Emodin, rheum
Emodol
Frangula emodin
Frangulic acid
Frangulinic acid
Rheum emodin
Rheum-emodin
Schuttgelb
emodin

seed.compound:cpd07232
seedM:cpd07232
RHMXXJGYXNZAPX-UHFFFAOYSA-N 		Emodin
1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione
1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone
3-Methyl-1,6,8-trihydroxyanthraquinone
6-Methyl-1,3,8-trihydroxyanthraquinone
Emodol
emodin

lipidmaps:LMPK13040008
lipidmapsM:LMPK13040008
RHMXXJGYXNZAPX-UHFFFAOYSA-N 		Emodin
1,3,8-trihydroxy-6-methylanthracene-9,10-dione

metacyc.compound:CPD-8215
metacycM:CPD-8215
RHMXXJGYXNZAPX-UHFFFAOYSA-M 		emodin
1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione
1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone
3-Methyl-1,6,8-trihydroxyanthraquinone
6-Methyl-1,3,8-trihydroxyanthraquinone
Emodol

CHEBI:42223
chebi:42223
RHMXXJGYXNZAPX-UHFFFAOYSA-N 		emodin
1,3,8-trihydroxy-6-methyl-9,10-anthracenedione
1,3,8-trihydroxy-6-methyl-9,10-anthraquinone
1,3,8-trihydroxy-6-methylanthra-9,10-quinone
3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE
Emodin
Schuttgelb

hmdb:HMDB35214
chebi:42221
chebi:4782
keggC:M_C10343
seedM:M_cpd07232 		secondary/obsolete/fantasy identifier