input word = C00057724

Metabolite InformationStructural formula
Name Ptelatoside C
Formula C19H26O10
Mw 414.15259705
CAS RN 98755-18-1
C_ID C00057724
InChIKey DZMYOBBWRZTUTA-UUOPEYFDSA-N
InChICode InChI=1S/C19H26O10/c1-2-9-3-5-10(6-4-9)28-19-17(25)15(23)14(22)12(29-19)8-27-18-16(24)13(21)11(20)7-26-18/h2-6,11-25H,1,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18-,19+/m0/s1
SMILES O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=C(C=C)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
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OrganismPteridium aquilinum
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1052C (ir)