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=C1C(=O)O[C@@H]2CC(=C)[C@H]3CC[C@@](C)(O[C@@H]4OC(COC(C)=O)[C@@H](O)[C@H](O)C4O)[C@@H]3CC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHymenoxys lemmonii Ref.
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OrganismHymenoxys lemmonii
ReferenceGao,Phytochem.,29,(1990),1601