input word = C00021027

Metabolite InformationStructural formula
Name Lemmonin A
Formula C23H32O9
Mw 452.20463262
CAS RN 128574-65-2
C_ID C00021027 ,
InChIKey ZFGCXKKWHJYYDK-BIGNFONPNA-N
InChICode InChI=1S/C23H32O9/c1-10-7-16-14(11(2)21(28)30-16)8-15-13(10)5-6-23(15,4)32-22-20(27)19(26)18(25)17(31-22)9-29-12(3)24/h13-20,22,25-27H,1-2,5-9H2,3-4H3/t13-,14+,15-,16-,17-,18-,19+,20-,22+,23-/m1/s1
SMILES [C@H]12[C@@H](C[C@@H]3[C@@H](CC1=C)OC(=O)C3=C)[C@](CC2)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHymenoxys lemmonii Ref.
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