input word = C00011811

Metabolite InformationStructural formula
Name 13-Acetoxy-4alpha,5alpha-epoxy-8alpha-hydroxy-1(10),7(11)-germacratrien-12,6alpha-olide
Formula C17H22O6
Mw 322.14163844
CAS RN 126829-67-2
C_ID C00011811 ,
InChIKey FGQCDHZHRFEMTQ-CPDWMWNTNA-N
InChICode InChI=1S/C17H22O6/c1-9-5-4-6-17(3)15(23-17)14-13(12(19)7-9)11(16(20)22-14)8-21-10(2)18/h5,12,14-15,19H,4,6-8H2,1-3H3/b9-5+/t12-,14-,15-,17+/m0/s1
SMILES C1C[C@@]2([C@H]([C@@H]3C(=C(C(=O)O3)COC(=O)C)[C@H](C/C(=C/1)/C)O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Penizia pinnatisecta Ref.
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