input word = C00005589

Metabolite InformationStructural formula
Name Isorhamnetin 3-gentiotrioside-7-glucoside
Formula C40H52O27
Mw 964.26959646
CAS RN 84534-27-0
C_ID C00005589 ,
InChIKey LTMDRRVXDLERDM-JLQCIZBTNA-N
InChICode InChI=1S/C40H52O27/c1-58-15-4-11(2-3-13(15)43)35-36(26(49)21-14(44)5-12(6-16(21)62-35)61-39-33(56)28(51)23(46)18(8-42)64-39)67-40-34(57)30(53)25(48)20(66-40)10-60-38-32(55)29(52)24(47)19(65-38)9-59-37-31(54)27(50)22(45)17(7-41)63-37/h2-6,17-20,22-25,27-34,37-48,50-57H,7-10H2,1H3/t17-,18+,19-,20+,22-,23-,24-,25-,27+,28+,29+,30+,31-,32-,33-,34-,37-,38-,39-,40+/m1/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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