input word = C00031440

Metabolite InformationStructural formula
Name Yunngnoside A
(+)-Yunngnoside A
Formula C22H26O11
Mw 466.14751167
CAS RN 863991-91-7
C_ID C00031440 ,
InChIKey AHCPYYIOZJJOHY-SGOBKAEPNA-N
InChICode InChI=1S/C22H26O11/c1-9(23)29-8-12-15(25)17(27)18(28)21(31-12)33-22(2,3)20-16(26)14-11(30-20)6-4-10-5-7-13(24)32-19(10)14/h4-7,12,15-18,20-21,25-28H,8H2,1-3H3/t12-,15-,16+,17+,18-,20-,21+/m1/s1
SMILES CC(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@H]2Oc3ccc4ccc(=O)oc4c3[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeHeracleum yunngningense Ref.
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