input word = C00035510

Metabolite InformationStructural formula
Name 6-O-(3,4,5-trimethoxybenzoyl)-ajugol
Formula C25H34O13
Mw 542.19994117
CAS RN 761446-84-8
C_ID C00035510 ,
InChIKey ISDOCUIPMQVNLK-YMAYJJJRNA-N
InChICode InChI=1S/C25H34O13/c1-25(31)9-15(36-22(30)11-7-13(32-2)21(34-4)14(8-11)33-3)12-5-6-35-23(17(12)25)38-24-20(29)19(28)18(27)16(10-26)37-24/h5-8,12,15-20,23-24,26-29,31H,9-10H2,1-4H3/t12-,15-,16-,17-,18-,19+,20-,23+,24+,25+/m1/s1
SMILES O1C=C[C@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@](C[C@H]2OC(=O)c1cc(c(c(c1)OC)OC)OC)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeTabebuia impetiginosa Ref.
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