input word = C00000631

Metabolite InformationStructural formula
Name 3-(beta-D-Glucopyranosyloxymethyl)-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-7-methoxy-(2R,3S)-dihydrobenzofuran
trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Formula C26H34O11
Mw 522.21011193
CAS RN 421546-95-4
C_ID C00000631 ,
InChIKey VTKHRLZMWODHJA-YTCDYMTQNA-N
InChICode InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20-,21+,22-,23+,24+,26+/m0/s1
SMILES C([C@@H]1[C@H](Oc2c1cc(cc2OC)CCCO)c1cc(c(cc1)O)OC)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
PlantaeCrassulaceaeSedum sarmentosum Ref.
PlantaeGesneriaceaeAeschynanthus bracteatus Ref.
PlantaePteridaceaePteris vittata Ref.
PlantaeRosaceaePrunus domestica Ref.
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OrganismPteris vittata
ReferenceIliefski,Phytochem.,46,(1997),929

Hartley,Plant Cell Wall Polymers.Biogenesis and Biodegradation.ACS Symposium Series.Washington DC,vol 399,(1989),p 137