input word = C00015110

Metabolite InformationStructural formula
Name Thielavin J
Formula C29H30O10
Mw 538.18389718
CAS RN 497879-28-4
C_ID C00015110 ,
InChIKey RLLCMRPOSFZYJJ-UHFFFAOYSA-N
InChICode InChI=1S/C29H30O10/c1-11-9-18(30)15(5)23(31)21(11)28(35)39-25-14(4)13(3)22(26(37-8)17(25)7)29(36)38-19-10-12(2)20(27(33)34)24(32)16(19)6/h9-10,30-32H,1-8H3,(H,33,34)
SMILES c1(c(c(cc(c1C)O)C)C(=O)Oc1c(c(c(c(c1C)C)C(=O)Oc1c(c(c(c(c1)C)C(=O)O)O)C)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiChaetomiaceaeChaetomium carinthiacum ATCC 46463 Ref.
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