input word = C00000544

Metabolite InformationStructural formula
Name Pyrenochaetic acid B
Formula C13H16O5
Mw 252.09977362
CAS RN 79214-48-5
C_ID C00000544 ,
InChIKey ISUCSLSQOIOUHP-UHFFFAOYNA-N
InChICode InChI=1S/C13H16O5/c1-7-4-9(13(16)17)6-11(18-3)12(7)10(15)5-8(2)14/h4,6,8,14H,5H2,1-3H3,(H,16,17)/t8-/m0/s1
SMILES c1c(cc(c(c1OC)C(=O)C[C@H](C)O)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPyrenochaeta terrestris Ref.
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