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 C=C(C(=O)O)[C@H]1C=C2[C@@H](C)CC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLaggera pterodonta Ref.
PlantaeAsteraceaeLaggera pterondonta Ref.
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OrganismLaggera pterondonta
ReferenceLi,Phytochem.,49,(1998),2015