input word = C00047687

Metabolite InformationStructural formula
Name 6-O-Acetylscutehenanine A
(-)-6-O-Acetylscutehenanine A
Formula C28H33NO7
Mw 495.22570242
CAS RN 1189052-13-8
C_ID C00047687 ,
InChIKey DARAPLZWBKPWQG-INFJRBGGNA-N
InChICode InChI=1S/C28H33NO7/c1-17-8-6-10-21-26(3,12-11-19-14-22(31)34-16-19)28(5,33)24(23(27(17,21)4)35-18(2)30)36-25(32)20-9-7-13-29-15-20/h7-9,11-15,21,23-24,33H,6,10,16H2,1-5H3/b12-11+/t21-,23+,24+,26+,27+,28+/m1/s1
SMILES CC(=O)O[C@H]1[C@H](OC(=O)c2cccnc2)[C@](C)(O)[C@](C)(/C=C/C2=CC(=O)OC2)[C@H]2CCC=C(C)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLabiataeScutellaria barbata Ref.
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