input word = C00005256

Metabolite InformationStructural formula
Name Kaempferol 3-rhamnosyl-(1->2)[rhamnosyl-(1->6)-galactoside]-7-glucoside
Alangiflavoside
Mauritianin 7-O-beta-D-glucopyranoside
Formula C39H50O24
Mw 902.26920253
CAS RN 172923-83-0
C_ID C00005256 ,
InChIKey WGPZTJGIINXQLM-VFDZTOMTNA-N
InChICode InChI=1S/C39H50O24/c1-11-21(43)26(48)30(52)36(56-11)55-10-19-24(46)29(51)35(63-37-31(53)27(49)22(44)12(2)57-37)39(61-19)62-34-25(47)20-16(42)7-15(58-38-32(54)28(50)23(45)18(9-40)60-38)8-17(20)59-33(34)13-3-5-14(41)6-4-13/h3-8,11-12,18-19,21-24,26-32,35-46,48-54H,9-10H2,1-2H3/t11-,12-,18-,19+,21-,22-,23+,24-,26-,27+,28-,29-,30+,31+,32-,35+,36+,37+,38+,39-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)O)C)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeAlangium premnifolium Ref.
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