input word = C00039282

Metabolite InformationStructural formula
Name Gnidicin-20-palmitate
Formula C52H66O11
Mw 866.46051295
CAS RN 260991-48-8
C_ID C00039282 ,
InChIKey ROQRYYKZDFSIMF-GAYDYTLVNA-N
InChICode InChI=1S/C52H66O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-29-40(53)58-33-48-45(60-48)42-46-50(34(2)3)44(59-41(54)31-30-37-25-20-18-21-26-37)36(5)51(42,39-32-35(4)43(55)49(39,57)47(48)56)63-52(61-46,62-50)38-27-22-19-23-28-38/h18-23,25-28,30-32,36,39,42,44-47,56-57H,2,6-17,24,29,33H2,1,3-5H3/b31-30+/t36-,39-,42+,44-,45+,46-,47-,48+,49-,50+,51+,52-/m1/s1
SMILES [C@]12(O[C@@H]3[C@H]4[C@]([C@@H]([C@H]([C@@]3(O1)C(=C)C)OC(=O)/C=C/c1ccccc1)C)([C@H]1[C@]([C@@H]([C@@]3([C@H]4O3)COC(=O)CCCCCCCCCCCCCCC)O)(C(=O)C(=C1)C)O)O2)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne oleoides ssp.oleoides Ref.
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