input word = C00036095

Metabolite InformationStructural formula
Name Cornutin A
Formula C24H30O8
Mw 446.19406794
CAS RN 138182-05-5
C_ID C00036095 ,
InChIKey PQQMXLRTXXSPHK-UHFFFAOYNA-N
InChICode InChI=1S/C24H30O8/c1-12-19(30-13(2)25)21(31-14(3)26)23(5)20-16(8-18(27)24(23)11-29-24)32-17(9-22(12,20)4)15-6-7-28-10-15/h6-7,10,12,16-17,19-21H,8-9,11H2,1-5H3/t12-,16+,17+,19-,20+,21+,22+,23+,24-/m1/s1
SMILES [C@@]12([C@]3([C@H]4[C@H](CC1=O)O[C@@H](C[C@]4([C@@H]([C@H]([C@@H]3OC(=O)C)OC(=O)C)C)C)c1ccoc1)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeCornutia grandifolia var.intermedia Ref.
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OrganismCornutia grandifolia var.intermedia
ReferenceJenett-Siems,Phytochem.,64,(2003),797