input word = C00022270

Metabolite InformationStructural formula
Name ent-3beta-Acetoxy-15,16-epoxy-8(17),13(16),14-labdatrien-18-oic acid
Formula C22H28O6
Mw 388.18858863
CAS RN 79726-68-4
C_ID C00022270 ,
InChIKey VZIHDWNPKBLDMB-FPKSXJQRNA-N
InChICode InChI=1S/C22H28O6/c1-13-5-6-18-21(3,16(13)11-17(24)15-8-10-27-12-15)9-7-19(28-14(2)23)22(18,4)20(25)26/h8,10,12,16,18-19H,1,5-7,9,11H2,2-4H3,(H,25,26)/t16-,18+,19-,21-,22-/m1/s1
SMILES C1[C@H]([C@@]([C@@H]2[C@](C1)([C@@H](C(=C)CC2)CC(=O)c1ccoc1)C)(C(=O)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeDodonaea petiolaris Ref.
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OrganismDodonaea petiolaris
ReferenceJefferies,Aust. J. Chem.,34,(1981),1001