input word = C00022746

Metabolite InformationStructural formula
Name 19-Acetoxyvillenatriol
19-Acetoxy-8(17),13E-labdadiene-7alpha,15-diol
Formula C22H36O4
Mw 364.26135964
CAS RN 66471-75-8
C_ID C00022746 ,
InChIKey ATCZBWGXHBXQTF-KDGRWIQFNA-N
InChICode InChI=1S/C22H36O4/c1-15(9-12-23)7-8-18-16(2)19(25)13-20-21(4,14-26-17(3)24)10-6-11-22(18,20)5/h9,18-20,23,25H,2,6-8,10-14H2,1,3-5H3/b15-9+/t18-,19+,20-,21+,22+/m0/s1
SMILES C=C1[C@H](O)CC2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis chamaedrifolia Ref.
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OrganismSideritis chamaedrifolia
ReferenceRodriguez,Phytochem.,17,(1978),281