input word = C00018211

Metabolite InformationStructural formula
Name Rubrolone
Formula C23H23NO8
Mw 441.14236672
CAS RN 65445-21-8
C_ID C00018211 ,
InChIKey UURMXICTBNVMJV-UHFFFAOYNA-N
InChICode InChI=1S/C23H23NO8/c1-4-5-12-15-10(6-8(2)24-12)14-11(18(15)27)7-13(25)16-20(19(14)28)32-22-23(16,30)21(29)17(26)9(3)31-22/h6-7,9,17,21-22,25-26,29-30H,4-5H2,1-3H3/t9-,17-,21-,22-,23+/m1/s1
SMILES n1c(cc2c(c1CCC)C(=O)c1c2c(=O)c2c([C@]3([C@@H](O2)O[C@@H]([C@H]([C@H]3O)O)C)O)c(c1)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces echinoruber sp. nov. X-14077 (NRRL 8144) Ref.
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