input word = C00013151

Metabolite InformationStructural formula
Name [3R-(3a,4b,5a,5aa,6a,9b,9aa,10R*)]-5a-[(acetyloxy)methyl]octahydro-2,2,9-trimethyl-2H-3,9a-Methano-1-benzoxepin-4,5,6,9,10-pentol 5-acetate 6-benzoate
Formula C26H34O10
Mw 506.21519731
CAS RN 107602-75-5
C_ID C00013151 ,
InChIKey HRWJAISWJCLGOV-UHFFFAOYNA-N
InChICode InChI=1S/C26H34O10/c1-14(27)33-13-25-17(35-22(31)16-9-7-6-8-10-16)11-12-24(5,32)26(25)20(30)18(23(3,4)36-26)19(29)21(25)34-15(2)28/h6-10,17-21,29-30,32H,11-13H2,1-5H3/t17-,18+,19-,20-,21+,24-,25+,26-/m0/s1
SMILES CC(=O)OCC12C(OC(=O)c3ccccc3)CCC(C)(O)C13OC(C)(C)C(C(O)C2OC(C)=O)C3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeRzedowskia tolantonguensis Ref.
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