input word = C00021809

Metabolite InformationStructural formula
Name 11beta-Acetoxy-5alpha-tigloyloxysilphinen-3-one
Formula C22H30O5
Mw 374.20932407
CAS RN 100430-42-0
C_ID C00021809 ,
InChIKey BDSWFNVYPZVFAO-AENSFNCTNA-N
InChICode InChI=1S/C22H30O5/c1-8-12(2)18(25)27-19-20(5,6)17-15(26-14(4)23)11-13(3)22(17)10-9-16(24)21(19,22)7/h8-10,13,15,17,19,23H,4,11H2,1-3,5-7H3/b12-8+/t13-,15-,17+,19+,21+,22?/m1/s1
SMILES C1=C[C@@]23[C@@](C1=O)([C@H](C([C@@H]2[C@@H](C[C@H]3C)OC(=C)O)(C)C)OC(=O)/C(=C/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCineraria geifolia Ref.
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OrganismCineraria geifolia
ReferenceJakupovic,Phytochem.,24,(1985),3048