input word = C00038394

Metabolite InformationStructural formula
Name Ajugaside A
(+)-Ajugaside A
Formula C32H50O14
Mw 658.32005631
CAS RN 213134-86-2
C_ID C00038394 ,
InChIKey AKJKBBDQAFRAJQ-SYJHCOKYNA-N
InChICode InChI=1S/C32H50O14/c1-14(10-33)16-9-15-5-6-19-31(2,13-43-29-26(41)24(39)21(36)17(11-34)44-29)7-4-8-32(19,3)20(15)23(38)28(16)46-30-27(42)25(40)22(37)18(12-35)45-30/h9,14,17-19,21-22,24-27,29-30,33-42H,4-8,10-13H2,1-3H3/t14-,17-,18-,19+,21-,22-,24+,25+,26-,27-,29-,30+,31-,32+/m1/s1
SMILES C1[C@]2([C@H]([C@](CC1)(CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)CCc1c2c(c(c(c1)[C@H](C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga decumbens Ref.
PlantaeLabiataeClerodendrum bungei Steud Ref.
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OrganismAjuga decumbens
ReferenceTakasaki,J.Nat.Prod.,61,(1998),1105