input word = C00012161

Metabolite InformationStructural formula
Name Chapliatrin
Formula C24H32O10
Mw 480.19954724
CAS RN 57800-56-3
C_ID C00012161 ,
InChIKey XYDKBCJHVLMYMJ-UHFFFAOYNA-N
InChICode InChI=1S/C24H32O10/c1-6-15(10-30-13(3)25)23(29)32-18-9-24(5)8-7-17(27)16(11-31-14(4)26)20(34-24)21-19(18)12(2)22(28)33-21/h6,16-21,27H,2,7-11H2,1,3-5H3/b15-6+/t16-,17-,18+,19-,20+,21-,24-/m0/s1
SMILES [C@H]1([C@@H]([C@@H]2[C@@H]3[C@H]([C@@H](C[C@](CC1)(O2)C)OC(=O)/C(=C/C)/COC(=O)C)C(=C)C(=O)O3)COC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris chapmanii Ref.
PlantaeAsteraceaeLiatris gracilis Ref.
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