input word = C00045042

Metabolite InformationStructural formula
Name Reissantin E
Formula C26H34O9
Mw 490.22028269
CAS RN 628290-40-4
C_ID C00045042 ,
InChIKey VDMRSWTYKXKIDN-UHFFFAOYNA-N
InChICode InChI=1S/C26H34O9/c1-14(27)32-17-12-13-24(5,31)26-20(29)18(23(3,4)35-26)19(33-15(2)28)21(25(17,26)6)34-22(30)16-10-8-7-9-11-16/h7-11,17-21,29,31H,12-13H2,1-6H3/t17-,18+,19-,20-,21+,24+,25-,26-/m1/s1
SMILES O[C@@H]1[C@@H]2[C@H]([C@@H]([C@@]3([C@@]1([C@](CC[C@H]3OC(=O)C)(O)C)OC2(C)C)C)OC(=O)c1ccccc1)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeReissantia buchananii Ref.
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