input word = C00031113

Metabolite InformationStructural formula
Name Pyrolaside A
Formula C26H34O14
Mw 570.1948558
CAS RN 868632-29-5
C_ID C00031113 ,
InChIKey LDPBYJGDALCXJX-IDNQEUDRNA-N
InChICode InChI=1S/C26H34O14/c1-9-3-11(37-25-23(35)21(33)19(31)15(7-27)39-25)5-13(17(9)29)14-6-12(4-10(2)18(14)30)38-26-24(36)22(34)20(32)16(8-28)40-26/h3-6,15-16,19-36H,7-8H2,1-2H3/t15-,16-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
SMILES c1(cc(c(c(c1)c1cc(cc(c1O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaePyrola rotundifolia Ref.
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