input word = C00049309

Metabolite InformationStructural formula
Name Stenopalustroside B
(-)-Stenopalustroside B
Formula C40H34O16
Mw 770.18468504
CAS RN 218613-80-0
C_ID C00049309 ,
InChIKey XPIXCPCSKJDZLU-LLBVHBLNNA-N
InChICode InChI=1S/C40H34O16/c1-51-28-16-21(4-13-26(28)44)6-14-31(46)52-19-30-34(48)38(55-32(47)15-5-20-2-9-23(41)10-3-20)36(50)40(54-30)56-39-35(49)33-27(45)17-25(43)18-29(33)53-37(39)22-7-11-24(42)12-8-22/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3/b14-6+,15-5-/t30-,34-,36-,38+,40+/m1/s1
SMILES c1c2c(c(=O)c(c(o2)c2ccc(cc2)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/c2ccc(c(c2)OC)O)O)OC(=O)/C=C\c2ccc(cc2)O)O)c(cc1O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBlechnaceaeStenochlaena palustris Ref.
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