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 COc1cc(C(=O)O[C@@H]2C[C@](C)(O)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@H]32)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeTabebuia impetiginosa Ref.
zoom in