input word = C00012204

Metabolite InformationStructural formula
Name (+)-Picriside B
Costunolide 15-beta-D-glucopyranoside
Picriside B
Formula C21H30O8
Mw 410.19406794
CAS RN 104778-12-3
C_ID C00012204 ,
InChIKey OEDNDLHBXUIYOG-KBZHVNRJNA-N
InChICode InChI=1S/C21H30O8/c1-11-4-3-5-13(8-15-14(7-6-11)12(2)20(26)28-15)10-27-21-19(25)18(24)17(23)16(9-22)29-21/h4,8,14-19,21-25H,2-3,5-7,9-10H2,1H3/b11-4+,13-8-/t14-,15-,16+,17+,18-,19+,21+/m0/s1
SMILES C\1(=C/CC/C(=C/[C@H]2[C@@H](CC1)C(=C)C(=O)O2)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCrepis mollis Aschers. Ref.
PlantaeAsteraceaeCrepis zacintha (L.) Loisel Ref.
PlantaeAsteraceaeHypochaeris radicata L. Ref.
PlantaeAsteraceaeIxeris dentata Nakai Ref.
PlantaeAsteraceaeIxeris repens A.Gray Ref.
PlantaeAsteraceaeLactuca quercina L. Ref.
PlantaeAsteraceaeLactuca tatarica C.A.Mey. Ref.
PlantaeAsteraceaeLactuca virosa L. Ref.
PlantaeAsteraceaeLaunaea arborescens Ref.
PlantaeAsteraceaePicris hieracioides Ref.
PlantaeAsteraceaePicris hieracioides L.var.japonica Regel Ref.
PlantaeAsteraceaePicris kamtschatica Ref.
PlantaeAsteraceaeSonchus oleraceus L. Ref.
PlantaeAsteraceaeTaraxacum hondoense Nakai ex Koidz. Ref.
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OrganismSonchus oleraceus L.
ReferenceZidorn,Phytochem.,69,(2008),2270