input word = C00012163

Metabolite InformationStructural formula
Name Acetylchapliatrin
Formula C26H34O11
Mw 522.21011193
CAS RN 57843-10-4
C_ID C00012163 ,
InChIKey HBOJHQLBDYJPJF-UHFFFAOYNA-N
InChICode InChI=1S/C26H34O11/c1-7-17(11-32-14(3)27)25(31)35-20-10-26(6)9-8-19(34-16(5)29)18(12-33-15(4)28)22(37-26)23-21(20)13(2)24(30)36-23/h7,18-23H,2,8-12H2,1,3-6H3/b17-7+/t18-,19-,20+,21+,22+,23-,26-/m1/s1
SMILES C=C1C(=O)OC2C3OC(C)(CCC(OC(C)=O)C3COC(C)=O)CC(OC(=O)C(=CC)COC(C)=O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris chapmanii Ref.
PlantaeAsteraceaeLiatris gracilis Ref.
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