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=C1C[C@H]2OC(=O)C(C)C2C[C@@H]2[C@@H]1CC[C@@]2(C)O[C@@H]1OC(COC(C)=O)[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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OrganismHymenoxys lemmonii
ReferenceGao,Phytochem.,29,(1990),1601