input word = C00002817

Metabolite InformationStructural formula
Name Dothistromin
Formula C18H12O9
Mw 372.04813198
CAS RN 31456-72-1
C_ID C00002817 ,
InChIKey FBPGRTYADYGYRG-WHQJQJIPNA-N
InChICode InChI=1S/C18H12O9/c19-6-1-2-7(20)12-11(6)14(22)5-3-8-13(16(24)10(5)15(12)23)18(25)4-9(21)27-17(18)26-8/h1-3,9,17,19-21,24-25H,4H2/t9-,17+,18-/m1/s1
SMILES c1cc(c2c(c1O)C(=O)c1c(C2=O)cc2c(c1O)[C@]1([C@@H](O2)O[C@H](C1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus radiata Ref.
--Cercospora spp. Ref.
--Dothistroma pini Ref.
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