input word = C00021029

Metabolite InformationStructural formula
Name Lemmonin B
Formula C23H34O9
Mw 454.22028269
CAS RN 128529-96-4
C_ID C00021029 ,
InChIKey RRZBHFAQTNSANW-JZFRFUHSNA-N
InChICode InChI=1S/C23H34O9/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/h11,13-20,22,25-27H,1,5-9H2,2-4H3/t11-,13+,14-,15+,16+,17+,18+,19-,20?,22-,23+/m0/s1
SMILES [C@H]12[C@@H](C[C@@H]3[C@@H](CC1=C)OC(=O)[C@H]3C)[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.
zoom in