input word = C00032288

Metabolite InformationStructural formula
Name Taraxerol acetate
Formula C32H52O2
Mw 468.3967309
CAS RN 2189-80-2
C_ID C00032288 ,
InChIKey YWJGYBXHXATAQY-GLUMBPBWNA-N
InChICode InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22-,24+,25+,26-,29-,30-,31-,32+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)(C2=CC[C@@]3([C@H]([C@@]2(CC1)C)CC(CC3)(C)C)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax trifoliatus Ref.
PlantaeAsteraceaeKoelpinia linearis Ref.
PlantaeAsteraceaePluchea sericea Ref.
PlantaeAsteraceaeXanthium canadense Mill. Ref.
PlantaeCampanulaceae/LobeliaceaeCodonopsis clematidea Ref.
PlantaeCampanulaceae/LobeliaceaeCodonopsis pilosula Ref.
PlantaeEbenaceaeDiospyros maingayi Ref.
PlantaeEbenaceaeDiospyros rhodocalyx Ref.
PlantaeEbenaceaeDiospyros singaporensis Ref.
PlantaeEuphorbiaceaeEuphorbia stygiana Ref.
PlantaeRosaceaePhysocarpus capitatus Ref.
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OrganismDiospyros rhodocalyx
ReferenceS. Sutthivaiyakit et al., Chem. Abs., (1995), 123, 152668.