input word = C00039978

Metabolite InformationStructural formula
Name Pestalotheol D
(-)-Pestalotheol D
Formula C16H20O4
Mw 276.13615913
CAS RN 1016894-77-1
C_ID C00039978 ,
InChIKey CGEURPDLOCVPML-UHFFFAOYNA-N
InChICode InChI=1S/C16H20O4/c1-15(2)8-11(17)10-7-12-9(5-13(10)20-15)6-14(19-12)16(3,4)18/h5,7,14,18H,6,8H2,1-4H3/t14-/m0/s1
SMILES c12c(cc3c(c1)C(=O)CC(O3)(C)C)C[C@H](O2)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiAmphisphaeriaceaePestalotiopsis theae Ref.
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