input word = C00013170

Metabolite InformationStructural formula
Name [3R-(3alpha,4beta,5alpha,5aalpha,6alpha,9beta,9aalpha,10R*)]-Octahydro-2,2,5a,9-tetramethyl-, 5,10-diacetate 6-benzoate H-3,9a-methano-1-benzoxepin-4,5,6,9,10-pentol
Formula C26H34O9
Mw 490.22028269
CAS RN 114226-33-4
C_ID C00013170 ,
InChIKey ZZWFRDLJNYWCJW-UHFFFAOYNA-N
InChICode InChI=1S/C26H34O9/c1-14(27)32-20-18-19(29)21(33-15(2)28)25(6)17(34-22(30)16-10-8-7-9-11-16)12-13-24(5,31)26(20,25)35-23(18,3)4/h7-11,17-21,29,31H,12-13H2,1-6H3/t17-,18-,19-,20+,21+,24-,25-,26+/m0/s1
SMILES CC(=O)OC1C(O)C2C(OC(C)=O)C3(OC2(C)C)C(C)(O)CCC(OC(=O)c2ccccc2)C13C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeOrthosphenia mexicana Ref.
zoom in