input word = C00022684

Metabolite InformationStructural formula
Name Taraxasteryl acetate
Saussurol acetate
Formula C32H52O2
Mw 468.3967309
CAS RN 6426-43-3
C_ID C00022684 ,
InChIKey SFEUTIOWNUGQMZ-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/h21,23-27H,1,10-19H2,2-9H3/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)(CCC(=C)[C@H]1C)C)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCalotropis gigantea Ref.
PlantaeAsteraceaeCirsium japonicum Ref.
PlantaeAsteraceaeEriocephalus kingesii Ref.
PlantaeAsteraceaeEriocephalus scariosus Ref.
PlantaeAsteraceaeEupatorium japonicum Ref.
PlantaeAsteraceaeOphryosporus floribundus Ref.
PlantaeAsteraceaeTrichogonia salviaefolia Ref.
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