emodin
Chemical Formula:
C15H9O5
Molecular Weight:
269.233 Daltons
Monoisotopic Mass:
270.0528234315 Daltons
SMILES:
CC1(C=C3(C(=C(C=1)O)C(C2(C(=CC(=CC=2O)[O-])C3=O))=O))
InChI:
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
InChIKey:
Synonyms
- Emodol
- 3-Methyl-1,6,8-trihydroxyanthraquinone
- 6-Methyl-1,3,8-trihydroxyanthraquinone
- 1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone
- 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione
Databases
MetaCyc:
CPD-8215
ChEBI:
77659
HMDB:
HMDB35214
PubChem (CID):
25201450
KEGG:
C10343
Seed:
cpd07232
MetaNetX:
MNXM11485