input word = C00020689

Metabolite InformationStructural formula
Name Myricetin 3-O-[beta-D-glucopyranosyl-(1->2)-alpha-L-rhamnopyranoside] 7-O-neohesperidoside
Formula C39H50O26
Mw 934.25903177
CAS RN 128701-39-3
C_ID C00020689 ,
InChIKey MDVBIZMWGMCMKQ-QXPSDQGTNA-N
InChICode InChI=1S/C39H50O26/c1-9-20(45)26(51)30(55)36(57-9)64-35-29(54)24(49)18(8-41)62-39(35)59-12-5-13(42)19-16(6-12)60-32(11-3-14(43)22(47)15(44)4-11)33(25(19)50)63-38-34(28(53)21(46)10(2)58-38)65-37-31(56)27(52)23(48)17(7-40)61-37/h3-6,9-10,17-18,20-21,23-24,26-31,34-49,51-56H,7-8H2,1-2H3/t9-,10-,17-,18-,20-,21-,23+,24+,26+,27-,28+,29-,30-,31+,34-,35-,36-,37-,38-,39+/m0/s1
SMILES CC1O[C@@H](OC2[C@H](Oc3cc(O)c4c(=O)c(O[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c(-c5cc(O)c(O)c(O)c5)oc4c3)OC(CO)[C@@H](O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCyamopsis tetragonoloba Ref.
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