input word = C00053609

Metabolite InformationStructural formula
Name Olivieroside A
Formula C25H26O11
Mw 502.14751167
CAS RN 249294-77-7
C_ID C00053609
InChIKey RUGPELINSBQUSV-KKMMGXBVSA-N
InChICode InChI=1S/C25H26O11/c1-2-15-16-9-10-32-23(31)17(16)12-33-24(15)36-25-22(21(30)20(29)18(11-26)34-25)35-19(28)8-5-13-3-6-14(27)7-4-13/h2-9,12,15,18,20-22,24-27,29-30H,1,10-11H2/b8-5+/t15-,18-,20-,21+,22-,24+,25+/m1/s1
SMILES C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana straminea Ref.
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OrganismGentiana straminea
ReferencePan, Z. et al., Molecules, 24, (2019), 4478.