input word = C00039977

Metabolite InformationStructural formula
Name Pestalotheol C
(+)-Pestalotheol C
Formula C16H24O4
Mw 280.16745925
CAS RN 1016894-76-0
C_ID C00039977 ,
InChIKey FWSQMPDAXKALDF-DNNWOGSANA-N
InChICode InChI=1S/C16H24O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h5-6,11-14,17-18H,7-8H2,1-4H3/b10-6-/t11-,12+,13+,14-,16?/m0/s1
SMILES [C@@H]12[C@]3([C@H]([C@@H](/C(=C\C=C(C)C)/C1)O)O3)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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