input word = C00050034

Metabolite InformationStructural formula
Name Cedronolactone A
Formula C19H28O7
Mw 368.18350325
CAS RN 898283-09-5
C_ID C00050034 ,
InChIKey QVRFHIZYHPQMDT-ACWIEMDONA-N
InChICode InChI=1S/C19H28O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h7-15,20-23H,4-6H2,1-3H3/t7-,8-,9-,10+,11-,12+,13-,14-,15?,17-,18-,19-/m0/s1
SMILES [C@@]12([C@H]3[C@]4([C@@H](C[C@H]5[C@H](C[C@@H]([C@@H]([C@@]5([C@H]4[C@@H]([C@@H]1OC3=O)O)C)O)O)C)O)CO2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Simba cedron Ref.
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OrganismSimba cedron
ReferenceOzeki,J.Nat.Prod.,61,(1998),776