input word = C00000168

Metabolite InformationStructural formula
Name 1beta,10alpha-Epoxy-8beta,14-dihydroxy-4E,11(13)-germacradien-12,6-olide
Formula C20H26O6
Mw 362.17293856
CAS RN 79384-02-4
C_ID C00000168 ,
InChIKey YUTJTNWTRUUIQT-ABBLURCINA-N
InChICode InChI=1S/C20H26O6/c1-5-12(3)18(22)25-15-9-20(10-21)16(26-20)7-6-11(2)8-14-17(15)13(4)19(23)24-14/h5,8,14-17,21H,4,6-7,9-10H2,1-3H3/b11-8+,12-5-/t14-,15-,16-,17+,20-/m1/s1
SMILES C1C/C(=C/[C@@H]2[C@@H]([C@@H](C[C@]3([C@@H]1O3)CO)OC(=O)/C(=C/C)/C)C(=C)C(=O)O2)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia rotundifolia Ref.
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OrganismTithonia rotundifolia
ReferenceBohlmann,Phytochem.,20,(1981),267