input word = C00035874

Metabolite InformationStructural formula
Name Salvigreside C
Formula C28H46O10
Mw 542.30909769
CAS RN 798573-93-0
C_ID C00035874 ,
InChIKey YUICZVHCZMFHJO-INDUWANCNA-N
InChICode InChI=1S/C28H46O10/c1-16-12-22(38-26-25(35)24(34)23(33)20(37-26)15-36-17(2)32)28(4)19(14-31)6-5-7-21(28)27(16,3)10-8-18(13-30)9-11-29/h6,9,16,20-26,29-31,33-35H,5,7-8,10-15H2,1-4H3/b18-9-/t16-,20-,21-,22+,23-,24+,25-,26+,27+,28+/m1/s1
SMILES C1[C@H]([C@@]([C@@H]2[C@@]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)C)(C(=CCC2)CO)C)(CC/C(=C/CO)/CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia greggii Ref.
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