input word = C00046263

Metabolite InformationStructural formula
Name Pachyclavulariaenone D
(+)-Pachyclavulariaenone D
Formula C20H28O4
Mw 332.19875938
CAS RN 473882-79-0
C_ID C00046263 ,
InChIKey MZJQEVBIFVOTEZ-NYMZTLEJNA-N
InChICode InChI=1S/C20H28O4/c1-10-5-6-15(22)20(4)19-18-16(12(3)9-23-20)13(21)8-11(2)17(18)14(7-10)24-19/h5,8,12,14-19,22H,6-7,9H2,1-4H3/b10-5-/t12-,14-,15+,16-,17-,18-,19-,20-/m0/s1
SMILES C\1(=C\C[C@H]([C@@]2(OC[C@@H]([C@H]3C(=O)C=C([C@@H]4[C@H]3[C@@H]2O[C@H]4C1)C)C)C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pachyclavularia violacea Ref.
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