input word = C00035720

Metabolite InformationStructural formula
Name Ozturkoside C
Formula C39H40O19
Mw 812.2163791
CAS RN 768382-09-8
C_ID C00035720 ,
InChIKey RNPGTFZSTFNLEF-VPVGBUMCNA-N
InChICode InChI=1S/C39H40O19/c1-17(41)52-16-29-33(48)35(50)36(57-30(46)10-5-18-3-7-20(42)8-4-18)39(56-29)58-37-34(49)32(47)28(15-40)55-38(37)53-21-12-23(44)31-24(45)14-25(54-27(31)13-21)19-6-9-22(43)26(11-19)51-2/h3-14,28-29,32-40,42-44,47-50H,15-16H2,1-2H3/b10-5+/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)cc4)cc3o2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis ozturkii Aytac & Aksoy Ref.
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OrganismSideritis ozturkii Aytac & Aksoy
ReferenceSahin,Phytochem.,65,(2004),2095