input word = C00003400

Metabolite InformationStructural formula
Name Ajugarin I
Formula C24H34O7
Mw 434.23045344
CAS RN 62640-05-5
C_ID C00003400 ,
InChIKey RNYBNBANBCQZON-YATTVUORNA-N
InChICode InChI=1S/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3/t15-,19-,20+,22+,23+,24+/m1/s1
SMILES C1=C(COC1=O)CC[C@@]1([C@@H]2[C@@]([C@H](C[C@H]1C)OC(=O)C)([C@]1(CCC2)CO1)COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAjuga remota Ref.
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