input word = C00035962

Metabolite InformationStructural formula
Name 6-O-(3,4-dimethoxybenzoyl)-ajugol
Formula C24H32O12
Mw 512.18937649
CAS RN 146564-47-8
C_ID C00035962 ,
InChIKey SBWYWSYCORCAIO-XYJKNNIHNA-N
InChICode InChI=1S/C24H32O12/c1-24(30)9-15(34-21(29)11-4-5-13(31-2)14(8-11)32-3)12-6-7-33-22(17(12)24)36-23-20(28)19(27)18(26)16(10-25)35-23/h4-8,12,15-20,22-23,25-28,30H,9-10H2,1-3H3/t12-,15-,16-,17-,18-,19+,20-,22+,23+,24+/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(cc1)OC)OC)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeTabebuia avellanedae Ref.
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