input word = C00031104

Metabolite InformationStructural formula
Name psi-Taraxasteryl acetate
Formula C32H52O2
Mw 468.3967309
CAS RN 4586-65-6
C_ID C00031104 ,
InChIKey DYTVUYVLJDSMFA-ZCQPBIMCNA-N
InChICode InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,21,23-27H,10-11,13-19H2,1-9H3/t21-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@H]1[C@@](CC2)(CC=C([C@H]1C)C)C)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTaraxacum formosanum Ref.
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