input word = C00041090

Metabolite InformationStructural formula
Name Pterodontoside B
(-)-Pterodontoside B
Formula C21H32O8
Mw 412.209718
CAS RN 190007-77-3
C_ID C00041090 ,
InChIKey XYLGTYVCSSAKTM-BHRNIALDNA-N
InChICode InChI=1S/C21H32O8/c1-10-5-4-6-21(3)13(10)7-12(11(2)19(26)27)8-15(21)29-20-18(25)17(24)16(23)14(9-22)28-20/h7,10,12,14-18,20,22-25H,2,4-6,8-9H2,1,3H3,(H,26,27)/t10-,12-,14+,15-,16-,17-,18+,20-,21-/m0/s1
SMILES C1[C@H](C=C2[C@@]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)(CCC[C@@H]2C)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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