input word = C00020499

Metabolite InformationStructural formula
Name Prespicatin
Formula C25H30O8
Mw 458.19406794
CAS RN 100015-12-1
C_ID C00020499 ,
InChIKey RFUWVTBKHFXDFD-POPOEWAYNA-N
InChICode InChI=1S/C25H30O8/c1-6-15(10-26)24(29)31-11-16(7-2)25(30)32-18-9-13(4)19-17(27)8-12(3)20(19)22-21(18)14(5)23(28)33-22/h6-8,17-22,26-27H,4-5,9-11H2,1-3H3/b15-6+,16-7+/t17-,18+,19+,20-,21+,22+/m0/s1
SMILES C1=C([C@H]2[C@@H]([C@H]1O)C(=C)C[C@H]([C@@H]1[C@@H]2OC(=O)C1=C)OC(=O)/C(=C/C)/COC(=O)/C(=C/C)/CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris spicata Ref.
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OrganismLiatris spicata
ReferenceBaruah,Phytochem.,24,(1985),2641