input word = C00042190

Metabolite InformationStructural formula
Name Achyrodimer C
(-)-Achyrodimer C
Formula C40H44O18
Mw 812.2527646
CAS RN 851345-26-1
C_ID C00042190 ,
InChIKey GDLOSEKDTGZMKZ-NMHRDLEPNA-N
InChICode InChI=1S/C40H44O18/c1-51-21-11-23(55-27(43)13-21)31-29(17-3-7-19(8-4-17)53-39-37(49)35(47)33(45)25(15-41)57-39)32(24-12-22(52-2)14-28(44)56-24)30(31)18-5-9-20(10-6-18)54-40-38(50)36(48)34(46)26(16-42)58-40/h3-14,25-26,29-42,45-50H,15-16H2,1-2H3/t25-,26-,29-,30+,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-/m1/s1
SMILES COc1cc(=O)oc([C@H]2[C@H](c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)[C@H](c3cc(OC)cc(=O)o3)[C@H]2c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchyrocline bogotensis (HBK.) DC. Ref.
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