input word = C00005414

Metabolite InformationStructural formula
Name Quercetin 3-glucosyl-(1->4)-mannoside
Formula C27H30O17
Mw 626.14829954
CAS RN 70863-85-3
C_ID C00005414 ,
InChIKey UTECWQIXBMWRRR-DXSBOUDYNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15+,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum xanthocarpum Ref.
zoom in