input word = C00035718

Metabolite InformationStructural formula
Name Ozturkoside A
Formula C39H40O20
Mw 828.21129372
CAS RN 768382-07-6
C_ID C00035718 ,
InChIKey RQZVPWREYYDWOS-KFHLDRDCNA-N
InChICode InChI=1S/C39H40O20/c1-16(41)53-15-29-33(49)35(51)36(58-30(47)8-4-17-3-6-20(42)22(44)9-17)39(57-29)59-37-34(50)32(48)28(14-40)56-38(37)54-19-11-23(45)31-24(46)13-25(55-27(31)12-19)18-5-7-21(43)26(10-18)52-2/h3-13,28-29,32-40,42-45,48-51H,14-15H2,1-2H3/b8-4+/t28-,29-,32-,33-,34+,35+,36-,37-,38-,39+/m1/s1
SMILES COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4OC(=O)/C=C/c4ccc(O)c(O)c4)cc3o2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis ozturkii Aytac & Aksoy Ref.
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