input word = C00021403

Metabolite InformationStructural formula
Name Lancerodiol vanillate
Formula C23H30O6
Mw 402.20423869
CAS RN 112501-46-9
C_ID C00021403 ,
InChIKey OZMABICMIHKNMC-MSHHELIXNA-N
InChICode InChI=1S/C23H30O6/c1-13(2)23(27)9-8-22(4)12-17(25)14(3)10-19(20(22)23)29-21(26)15-6-7-16(24)18(11-15)28-5/h6-7,10-11,13,19-20,24,27H,8-9,12H2,1-5H3/t19-,20-,22-,23-/m1/s1
SMILES [C@@]12([C@@H]([C@@H](C=C(C(=O)C1)C)OC(=O)c1ccc(c(c1)OC)O)[C@@](CC2)(C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula orientalis Ref.
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