input word = C00003368

Metabolite InformationStructural formula
Name Spicatin
Formula C27H32O10
Mw 516.19954724
CAS RN 53142-46-4
C_ID C00003368 ,
InChIKey KECRQSRAHLUNQU-CWSZSKRKNA-N
InChICode InChI=1S/C27H32O10/c1-6-16(10-28)25(31)33-11-17(7-2)26(32)36-19-9-27(12-34-27)22-18(35-15(5)29)8-13(3)20(22)23-21(19)14(4)24(30)37-23/h6-8,18-23,28H,4,9-12H2,1-3,5H3/b16-6+,17-7+/t18-,19+,20-,21+,22+,23+,27-/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H]([C@@H](C[C@@]41CO4)OC(=O)/C(=C/C)/COC(=O)/C(=C/C)/CO)C(=C)C(=O)O3)C(=C[C@@H]2OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris pycnostachya Ref.
PlantaeAsteraceaeLiatris spicata Ref.
PlantaeAsteraceaeLiatris squarrosa Ref.
PlantaeAsteraceaeLiatris teniufolia Ref.
PlantaeAsteraceaeLiatris tenuifolia Ref.
PlantaeMeliaceaeEntandrophragma spicata Ref.
PlantaeMeliaceaeXylocarpus granatum Ref.
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