input word = C00006731

Metabolite InformationStructural formula
Name Ophionin
Formula C40H53O26
Mw 949.28250687
CAS RN 75041-46-2
C_ID C00006731 ,
InChIKey QHDCPPXCUWSBAX-DZOQUMIDNA-O
InChICode InChI=1S/C40H52O26/c1-11-23(45)28(50)32(54)37(59-11)58-10-22-27(49)31(53)36(66-39-34(56)30(52)26(48)21(9-42)64-39)40(65-22)62-19-7-14-15(44)5-13(43)6-16(14)60-35(19)12-3-17(57-2)24(46)18(4-12)61-38-33(55)29(51)25(47)20(8-41)63-38/h3-7,11,20-23,25-34,36-42,45,47-56H,8-10H2,1-2H3,(H2-,43,44,46)/p+1/t11-,20-,21+,22-,23+,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-,36+,37-,38-,39+,40-/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)cc(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeOphiopogon jaburan Ref.
zoom in



OrganismOphiopogon jaburan
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Ishikura,J.Plant Physiol.,115,(1984),171