input word = C00048383

Metabolite InformationStructural formula
Name Epicandicandiol 7beta-acetate 18-palmitate
Formula C38H64O4
Mw 584.48046053
CAS RN 126737-41-5
C_ID C00048383 ,
InChIKey ARZVCSLAOOTNER-XDXXGVNZNA-N
InChICode InChI=1S/C38H64O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-35(40)41-28-36(4)23-19-24-37(5)32-22-21-31-27-38(32,26-29(31)2)34(25-33(36)37)42-30(3)39/h31-34H,2,6-28H2,1,3-5H3/t31-,32+,33-,34+,36-,37+,38+/m1/s1
SMILES C1[C@@H]2[C@]3(C[C@@H](C1)C(=C)C3)[C@H](C[C@H]1[C@]2(CCC[C@@]1(COC(=O)CCCCCCCCCCCCCCC)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis lotsyi var. mascaensis Ref.
PlantaeLabiataeSideritis soluta Ref.
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