input word = C00003295

Metabolite InformationStructural formula
Name Graminiliatrin
Formula C22H26O9
Mw 434.15768243
CAS RN 53142-34-0
C_ID C00003295 ,
InChIKey CENDVHAKXFHGQA-HXHSZVNCNA-N
InChICode InChI=1S/C22H26O9/c1-9(5-6-27-11(3)23)19(25)29-12-7-22(8-28-22)14-15(21(4)18(31-21)16(14)24)17-13(12)10(2)20(26)30-17/h5,12-18,24H,2,6-8H2,1,3-4H3/b9-5-/t12-,13-,14+,15+,16+,17+,18-,21+,22+/m1/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H]([C@@H](C[C@]41OC4)OC(=O)/C(=C\COC(=O)C)/C)C(=C)C(=O)O3)[C@]1([C@@H]([C@H]2O)O1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris graminifolia Ref.
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