input word = C00044510

Metabolite InformationStructural formula
Name Ajugasalicigenin
(-)-Ajugasalicigenin
Formula C29H48O7
Mw 508.34000389
CAS RN 503623-35-6
C_ID C00044510 ,
InChIKey WTAODDALTKKQHM-JRDCDNEUNA-N
InChICode InChI=1S/C29H48O7/c1-5-19-24(34)25(36-28(19,4)15-31)22(14-30)29(35)23(33)13-21-18-7-6-16-12-17(32)8-10-26(16,2)20(18)9-11-27(21,29)3/h7,16-17,19-25,30-35H,5-6,8-15H2,1-4H3/t16-,17-,19-,20-,21-,22+,23-,24+,25-,26-,27-,28+,29+/m0/s1
SMILES CC[C@H]1C(O)[C@H]([C@@H](CO)[C@@]2(O)[C@@H](O)C[C@H]3C4=CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]1(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga salicifolia Ref.
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