input word = C00005569

Metabolite InformationStructural formula
Name Isorhamnetin 3-gentiotrioside
Formula C34H42O22
Mw 802.21677303
CAS RN 84534-25-8
C_ID C00005569 ,
InChIKey ZOBQEZZXFJUSHG-BRNSZNGRNA-N
InChICode InChI=1S/C34H42O22/c1-49-14-4-10(2-3-12(14)37)30-31(23(42)19-13(38)5-11(36)6-15(19)52-30)56-34-29(48)26(45)22(41)18(55-34)9-51-33-28(47)25(44)21(40)17(54-33)8-50-32-27(46)24(43)20(39)16(7-35)53-32/h2-6,16-18,20-22,24-29,32-41,43-48H,7-9H2,1H3/t16-,17-,18-,20-,21-,22-,24+,25+,26+,27-,28-,29-,32-,33-,34+/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[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)CO)O)O)O)O)O)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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