input word = C00014808

Metabolite InformationStructural formula
Name Ternatin C5
Formula C36H43O25
Mw 875.20934193
CAS RN 215378-78-2
C_ID C00014808 ,
InChIKey WTWWJFYJOBVFTF-STRDSWQJNA-O
InChICode InChI=1S/C36H42O25/c37-7-18-24(45)27(48)30(51)34(59-18)56-15-1-10(2-16(23(15)44)57-35-31(52)28(49)25(46)19(8-38)60-35)33-17(5-12-13(40)3-11(39)4-14(12)55-33)58-36-32(53)29(50)26(47)20(61-36)9-54-22(43)6-21(41)42/h1-5,18-20,24-32,34-38,45-53H,6-9H2,(H3-,39,40,41,42,44)/p+1/t18-,19+,20-,24+,25+,26+,27-,28-,29-,30+,31-,32+,34+,35+,36+/m0/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeClitoria ternatea Ref.
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