input word = C00049965

Metabolite InformationStructural formula
Name 8beta-Isobutyryloxycumambranolide
(-)-8beta-Isobutyryloxycumambranolide
Formula C19H26O5
Mw 334.17802394
CAS RN 210538-07-1
C_ID C00049965 ,
InChIKey SLWRMDVPXSTKON-MGNSVSGXNA-N
InChICode InChI=1S/C19H26O5/c1-9(2)17(20)23-13-8-19(5,22)12-7-6-10(3)14(12)16-15(13)11(4)18(21)24-16/h6,9,12-16,22H,4,7-8H2,1-3,5H3/t12-,13-,14+,15-,16-,19-/m1/s1
SMILES [C@H]12[C@@H]([C@@H](C[C@@]([C@H]3[C@@H]1C(=CC3)C)(C)O)OC(=O)C(C)C)C(=C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia diversifolia Ref.
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OrganismTithonia diversifolia
ReferenceKuo,J.Nat.Prod.,61,(1998),827