input word = C00010594

Metabolite InformationStructural formula
Name Durantoside III
Formula C28H36O15
Mw 612.20542048
CAS RN 53526-65-1
C_ID C00010594 ,
InChIKey FQNAUMYJWYEZSE-ALLIQPTMNA-N
InChICode InChI=1S/C28H36O15/c1-27(35)18(42-19(30)8-6-13-5-7-15(37-2)16(9-13)38-3)10-28(36)14(24(34)39-4)12-40-26(23(27)28)43-25-22(33)21(32)20(31)17(11-29)41-25/h5-9,12,17-18,20-23,25-26,29,31-33,35-36H,10-11H2,1-4H3/b8-6+/t17-,18-,20+,21-,22-,23+,25-,26-,27-,28-/m0/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@@H]2[C@@](C)(O)[C@@H](OC(=O)/C=C/c3ccc(OC)c(OC)c3)C[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeDuranta erecta Ref.
PlantaeVerbenaceaeDuranta repens Ref.
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