input word = C00010593

Metabolite InformationStructural formula
Name Durantoside II
Formula C27H34O14
Mw 582.1948558
CAS RN 53526-66-2
C_ID C00010593 ,
InChIKey DVQVHBAATHWQAS-PGPIQLRPNA-N
InChICode InChI=1S/C27H34O14/c1-26(34)17(40-18(29)9-6-13-4-7-14(36-2)8-5-13)10-27(35)15(23(33)37-3)12-38-25(22(26)27)41-24-21(32)20(31)19(30)16(11-28)39-24/h4-9,12,16-17,19-22,24-25,28,30-32,34-35H,10-11H2,1-3H3/b9-6+/t16-,17-,19+,20-,21-,22+,24-,25-,26-,27-/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)cc3)C[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeBouchea fluminensis Ref.
PlantaeVerbenaceaeCitharexylum subserratum Ref.
PlantaeVerbenaceaeDuranta erecta Ref.
PlantaeVerbenaceaeDuranta repens Ref.
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