input word = C00015109

Metabolite InformationStructural formula
Name Thielavin I
Formula C28H30O8
Mw 494.19406794
CAS RN 497879-27-3
C_ID C00015109 ,
InChIKey UPKGXNUGBGHQFZ-UHFFFAOYSA-N
InChICode InChI=1S/C28H30O8/c1-11-9-20(30)17(7)25(13(11)3)35-28(34)22-14(4)15(5)26(18(8)24(22)32)36-27(33)21-12(2)10-19(29)16(6)23(21)31/h9-10,29-32H,1-8H3
SMILES Cc1cc(O)c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2O)c1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiChaetomiaceaeChaetomium carinthiacum ATCC 46463 Ref.
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