input word = C00016317

Metabolite InformationStructural formula
Name 9,10-Dihydro-4,5,7-trihydroxy-9,10-dioxo-2-anthroic acid
Emodic acid
NSC 624610
Formula C15H8O7
Mw 300.02700261
CAS RN 478-45-5
C_ID C00016317 ,
InChIKey ZJXVNNSMRGTDBI-UHFFFAOYSA-N
InChICode InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
SMILES c12c(C(=O)c3c(C1=O)c(cc(c3)C(=O)O)O)cc(cc2O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium sp. Ref.
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OrganismPenicillium sp.
ReferenceAlvi,J. Antibiotics,50,(1997),264