input word = C00021028

Metabolite InformationStructural formula
Name Lemmonin C
Formula C21H32O8
Mw 412.209718
CAS RN 128529-97-5
C_ID C00021028 ,
InChIKey INJZVJKIFPZAKG-NKMRCLKJNA-N
InChICode InChI=1S/C21H32O8/c1-9-6-14-12(10(2)19(26)27-14)7-13-11(9)4-5-21(13,3)29-20-18(25)17(24)16(23)15(8-22)28-20/h10-18,20,22-25H,1,4-8H2,2-3H3/t10-,11+,12+,13+,14+,15+,16+,17-,18+,20-,21+/m0/s1
SMILES C=C1C[C@H]2OC(=O)[C@@H](C)C2C[C@@H]2[C@@H]1CC[C@@]2(C)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHymenoxys lemmonii Ref.
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