input word = C00039975

Metabolite InformationStructural formula
Name Pestalotheol A
(+)-Pestalotheol A
Formula C16H24O6
Mw 312.1572885
CAS RN 1016894-74-8
C_ID C00039975 ,
InChIKey KHFKITMXZQEMRU-XZYKOZHYNA-N
InChICode InChI=1S/C16H24O6/c1-14(2)6-9(17)8-5-10-16(20,13(18)12(8)22-14)7-11(21-10)15(3,4)19/h10-11,13,18-20H,5-7H2,1-4H3/t10-,11+,13-,16+/m0/s1
SMILES [C@@H]12[C@@]([C@H](C3=C(C1)C(=O)CC(O3)(C)C)O)(C[C@@H](O2)C(C)(C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiAmphisphaeriaceaePestalotiopsis theae Ref.
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