input word = C00021148

Metabolite InformationStructural formula
Name Spathulin
Formula C19H26O8
Mw 382.16276781
CAS RN 7706-45-8
C_ID C00021148 ,
InChIKey DBJWOTDYVYVATC-ZYBTZJMBNA-N
InChICode InChI=1S/C19H26O8/c1-7-13-16(27-18(7)24)15(25-9(3)20)8(2)14-11(22)6-12(23)19(14,5)17(13)26-10(4)21/h8,11-17,22-23H,1,6H2,2-5H3/t8-,11-,12+,13+,14+,15+,16+,17+,19+/m0/s1
SMILES [C@@H]12[C@]([C@@H]([C@H]3[C@H]([C@@H]([C@H]1C)OC(=O)C)OC(=O)C3=C)OC(=O)C)([C@@H](C[C@@H]2O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia spathulata Ref.
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