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 [C@@]12([C@H]([C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[C@]([C@H](C2)OC(=O)/C=C/c1ccc(cc1)OC)(O)C)O
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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OrganismBouchea fluminensis
ReferenceSchuquel,Phytochem.,49,(1998),2409