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 C1[C@@H](C[C@H]2[C@](C1)([C@@H]1C(=CC2)[C@H]2[C@](CC1)([C@]([C@H](C2)O)([C@H](CO)[C@@H]1O[C@]([C@H]([C@H]1O)CC)(C)CO)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga salicifolia Ref.
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