input word = C00049310

Metabolite InformationStructural formula
Name Stenopalustroside C
Formula C39H32O15
Mw 740.17412036
CAS RN 218614-18-7
C_ID C00049310 ,
InChIKey NFSCOXCDAAETPI-UNQRTQPANA-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 O=C(/C=Cc1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBlechnaceaeStenochlaena palustris Ref.
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