input word = C00021810

Metabolite InformationStructural formula
Name 11beta-Acetoxy-5alpha-isobutyryloxysilphinen-3-one
Formula C21H30O5
Mw 362.20932407
CAS RN 100363-82-4
C_ID C00021810 ,
InChIKey OMCNUAZNXLCETR-JBCVTGCENA-N
InChICode InChI=1S/C21H30O5/c1-11(2)17(24)26-18-19(5,6)16-14(25-13(4)22)10-12(3)21(16)9-8-15(23)20(18,21)7/h8-9,11-12,14,16,18,22H,4,10H2,1-3,5-7H3/t12-,14-,16+,18+,20+,21+/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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCineraria geifolia Ref.
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