input word = C00048382

Metabolite InformationStructural formula
Name Epicandicandiol 18-palmitate
Formula C36H62O3
Mw 542.46989584
CAS RN 108335-53-1
C_ID C00048382 ,
InChIKey HTNBQZVNRCSFKD-GRQHZHRHNA-N
InChICode InChI=1S/C36H62O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-33(38)39-27-34(3)22-18-23-35(4)30-21-20-29-26-36(30,25-28(29)2)32(37)24-31(34)35/h29-32,37H,2,5-27H2,1,3-4H3/t29-,30+,31-,32+,34-,35+,36+/m1/s1
SMILES C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(=O)CCCCCCCCCCCCCCC)[C@H]1C[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis soluta Ref.
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