input word = C00042192

Metabolite InformationStructural formula
Name Achyrodimer E
Formula C40H44O18
Mw 812.2527646
CAS RN 851345-28-3
C_ID C00042192 ,
InChIKey QSUGKMAXQFCARZ-QZUGRBGRNA-N
InChICode InChI=1S/C40H44O18/c1-51-22-13-24(55-27(43)14-22)31-29(19-5-9-21(10-6-19)54-39-37(50)35(48)33(46)26(17-42)57-39)30-23(52-2)15-28(44)58-40(30,31)12-11-18-3-7-20(8-4-18)53-38-36(49)34(47)32(45)25(16-41)56-38/h3-15,25-26,29-39,41-42,45-50H,16-17H2,1-2H3/b12-11+/t25-,26+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40+/m0/s1
SMILES COC1=CC(=O)O[C@]2(/C=C/c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)[C@H]1[C@H](c1ccc(OC3OC(CO)C(O)C(O)C3O)cc1)[C@H]2c1cc(OC)cc(=O)o1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchyrocline bogotensis (HBK.) DC. Ref.
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