input word = C00049311

Metabolite InformationStructural formula
Name Stenopalustroside D
Formula C39H32O15
Mw 740.17412036
CAS RN 218614-52-9
C_ID C00049311 ,
InChIKey NFSCOXCDAAETPI-CWLMLQNDNA-N
InChICode InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5-,16-6-/t29-,33-,35-,37+,39+/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(cc2)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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