input word = C00033022

Metabolite InformationStructural formula
Name Hemsleyanoside C
Formula C54H52O19
Mw 1004.31027948
CAS RN 317820-59-0
C_ID C00033022 ,
InChIKey AKCFNGPKGXQHGR-QFMUORDCNA-N
InChICode InChI=1S/C54H52O19/c55-17-30-43(63)47(67)49(69)53(71-30)37-29(62)16-28-35-32(19-1-7-23(57)8-2-19)40-39(38(35)33(36(28)45(37)65)20-3-9-24(58)10-4-20)41-34(22-13-26(60)15-27(61)14-22)51(21-5-11-25(59)12-6-21)73-52(41)42(46(40)66)54-50(70)48(68)44(64)31(18-56)72-54/h1-16,30-35,38,43-44,47-51,53-70H,17-18H2/t30-,31-,32+,33-,34-,35-,38-,43-,44-,47+,48+,49-,50-,51-,53+,54+/m1/s1
SMILES c1(c2c(c3c(c1[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]([C@@H]3c1cc(cc(c1)O)O)c1ccc(cc1)O)[C@H]1[C@@H]([C@@H]2c2ccc(cc2)O)c2c([C@H]1c1ccc(cc1)O)c(c(c(c2)O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeShorea hemsleyana Ref.
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