input word = C00031582

Metabolite InformationStructural formula
Name Ajugalide B
Formula C26H36O10
Mw 508.23084737
CAS RN 853247-63-9
C_ID C00031582 ,
InChIKey MBBUQNSETPVJDQ-SVFFUDCONA-N
InChICode InChI=1S/C26H36O10/c1-14-8-21(36-17(4)29)26(13-33-15(2)27)23(20(35-16(3)28)6-7-25(26)12-34-25)24(14,5)10-19(30)18-9-22(31)32-11-18/h9,14,19-21,23,30H,6-8,10-13H2,1-5H3/t14-,19+,20-,21+,23-,24+,25+,26-/m1/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H]1[C@H](OC(C)=O)CC[C@]21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga taiwanensis Ref.
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