input word = C00035722

Metabolite InformationStructural formula
Name Paederotoside
Formula C28H34O15
Mw 610.18977042
CAS RN 769953-68-6
C_ID C00035722 ,
InChIKey ACYSRUVVWAZOEU-AMADFLQTNA-N
InChICode InChI=1S/C28H34O15/c29-16-10-40-27(22(33)19(16)30)41-11-17-20(31)21(32)23(34)28(42-17)43-26-18-13(6-7-14(18)15(9-39-26)24(35)36)8-38-25(37)12-4-2-1-3-5-12/h1-5,9,14,16-17,19-23,26-34H,6-8,10-11H2,(H,35,36)/t14-,16+,17-,19+,20-,21+,22+,23-,26+,27-,28+/m1/s1
SMILES O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C2=C(COC(=O)c3ccccc3)CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana straminea Ref.
PlantaePlantaginaceaePaederota lutea Ref.
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