input word = C00049312

Metabolite InformationStructural formula
Name Stenopalustroside E
Formula C50H46O20
Mw 966.25824391
CAS RN 218614-66-5
C_ID C00049312 ,
InChIKey WGYORXDPWQXLQS-HPRHDGISNA-N
InChICode InChI=1S/C50H46O20/c1-63-35-20-28(10-15-32(35)55)43(59)38(23-51)66-34-16-5-26(19-36(34)64-2)7-17-40(57)65-24-39-44(60)48(69-41(58)18-6-25-3-11-29(52)12-4-25)46(62)50(68-39)70-49-45(61)42-33(56)21-31(54)22-37(42)67-47(49)27-8-13-30(53)14-9-27/h3-22,38-39,43-44,46,48,50-56,59-60,62H,23-24H2,1-2H3/b17-7+,18-6-/t38-,39-,43-,44-,46-,48+,50+/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[C@H](CO)[C@H](O)c2cc(c(cc2)O)OC)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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