input word = C00010741

Metabolite InformationStructural formula
Name Abelioside B
Formula C25H36O12
Mw 528.22067662
CAS RN 99891-73-3
C_ID C00010741 ,
InChIKey SQGCICPYNODIOK-VPXDYBTFNA-N
InChICode InChI=1S/C25H36O12/c1-3-13-14(4-5-26)16(23(32)35-17-6-12-7-19(28)33-9-15(12)11(17)2)10-34-24(13)37-25-22(31)21(30)20(29)18(8-27)36-25/h3,10-15,17-18,20-22,24-27,29-31H,1,4-9H2,2H3/t11-,12-,13-,14+,15+,17+,18-,20+,21+,22+,24-,25+/m1/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3CC(=O)OC[C@@H]3[C@H]2C)[C@H]1CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinnaeaceae/Diervillaceae/Dipsacaceae/ValerianaceaeAbelia grandiflora Ref.
zoom in