input word = C00057644

Metabolite InformationStructural formula
Name Ptelatoside B
Formula C20H28O10
Mw 428.16824712
CAS RN 90852-99-6
C_ID C00057644
InChIKey DIBOBJSTTKLQQV-QLDOSHOCSA-N
InChICode InChI=1S/C20H28O10/c1-3-10-4-6-11(7-5-10)28-20-18(16(25)14(23)12(8-21)29-20)30-19-17(26)15(24)13(22)9(2)27-19/h3-7,9,12-26H,1,8H2,2H3/t9-,12+,13-,14+,15+,16-,17+,18+,19-,20+/m0/s1
SMILES C=CC(C=C1)=CC=C1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2
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)