input word = C00039284

Metabolite InformationStructural formula
Name Gnidilatidin-20-palmitate
(+)-Gnidilatidin-20-palmitate
Formula C53H74O11
Mw 886.52311321
CAS RN 60195-68-8
C_ID C00039284 ,
InChIKey RVYDSMXGZPSDMF-ZMIRSCGCNA-N
InChICode InChI=1S/C53H74O11/c1-7-9-11-13-15-16-17-18-19-20-21-23-28-32-41(54)59-35-49-45(61-49)42-46-52(36(3)4)44(60-47(56)39-30-26-25-27-31-39)38(6)53(42,40-34-37(5)43(55)51(40,58)48(49)57)64-50(62-46,63-52)33-29-24-22-14-12-10-8-2/h22,24-27,29-31,33-34,38,40,42,44-46,48,57-58H,3,7-21,23,28,32,35H2,1-2,4-6H3/b24-22+,33-29+/t38-,40-,42+,44-,45+,46-,48-,49+,50-,51-,52+,53+/m1/s1
SMILES C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeDaphne oleoides ssp.oleoides Ref.
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OrganismDaphne oleoides ssp.oleoides
ReferenceTaninaka,Phytochem.,52,(1999),1525