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[C@H]1C[C@H](O)[C@H](O)[C@@]2(C)[C@H]1C[C@@H](O)C13COC4(C)C(OC(=O)C41)[C@@H](O)[C@@H]32
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