input word = C00041089

Metabolite InformationStructural formula
Name Pterodontoside A
(-)-Pterodontoside A
Formula C21H32O8
Mw 412.209718
CAS RN 190007-76-2
C_ID C00041089 ,
InChIKey AKZZXWNFVQXXFN-CJBUGHSANA-N
InChICode InChI=1S/C21H32O8/c1-10-4-5-15(29-20-18(25)17(24)16(23)14(9-22)28-20)21(3)7-6-12(8-13(10)21)11(2)19(26)27/h8,10,12,14-18,20,22-25H,2,4-7,9H2,1,3H3,(H,26,27)/t10-,12+,14+,15+,16-,17-,18+,20-,21+/m0/s1
SMILES C1[C@H](C=C2[C@@](C1)([C@@H](CC[C@@H]2C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C(=C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaggera pterodonta Ref.
PlantaeAsteraceaeLaggera pterondonta Ref.
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