input word = C00036703

Metabolite InformationStructural formula
Name Alatoside C
(-)-Alatoside C(Laggera alata)
Formula C21H32O8
Mw 412.209718
CAS RN 610789-41-8
C_ID C00036703 ,
InChIKey AXCIWKFMHXCHTN-HMIKDAJBNA-N
InChICode InChI=1S/C21H32O8/c1-11-5-4-7-20(3)8-6-13(12(2)18(26)27)9-21(11,20)29-19-17(25)16(24)15(23)14(10-22)28-19/h13-17,19,22-25H,1-2,4-10H2,3H3,(H,26,27)/t13-,14-,15-,16+,17-,19+,20-,21+/m1/s1
SMILES [C@H]1(CC[C@@]2([C@](C1)(C(=C)CCC2)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 alata Ref.
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OrganismLaggera alata
ReferenceZheng,Phytochem.,63,(2003),835