input word = C00021003

Metabolite InformationStructural formula
Name Macrocliniside A
Formula C21H28O9
Mw 424.17333249
CAS RN 94474-61-0
C_ID C00021003 ,
InChIKey ARJUJAMZTUUZNZ-LWPOATNDNA-N
InChICode InChI=1S/C21H28O9/c1-7-10-5-13(28-21-18(26)17(25)16(24)14(6-22)29-21)9(3)15(10)19-11(4-12(7)23)8(2)20(27)30-19/h10-19,21-26H,1-6H2/t10-,11-,12+,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H](C[C@H](C1=C)O)C(=C)C(=O)O3)C(=C)[C@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca laciniata Ref.
PlantaeAsteraceaeMacroclinidium trilobum Ref.
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