input word = C00039976

Metabolite InformationStructural formula
Name Pestalotheol B
(+)-Pestalotheol B
Formula C16H24O5
Mw 296.16237388
CAS RN 1016894-75-9
C_ID C00039976 ,
InChIKey SZJDSGYDVCCKMU-HKJYBYCFNA-N
InChICode InChI=1S/C16H24O5/c1-14(2)6-10(17)9-5-12-16(19,7-11(9)21-14)8-13(20-12)15(3,4)18/h12-13,18-19H,5-8H2,1-4H3/t12-,13+,16-/m0/s1
SMILES [C@@H]12[C@](CC3=C(C1)C(=O)CC(O3)(C)C)(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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OrganismPestalotiopsis theae
ReferenceLi,J.Nat.Prod.,71,(2008),664