input word = C00014343

Metabolite InformationStructural formula
Name 5,7,3'-Trihydroxy-4'-methoxyflavanone 7-(2,6-dirhamnosylglucoside)
Formula C34H44O19
Mw 756.24767923
CAS RN 97218-30-9
C_ID C00014343 ,
InChIKey LMWHBZYEUQWDBE-YUONSRBHNA-N
InChICode InChI=1S/C34H44O19/c1-11-23(38)26(41)29(44)32(48-11)47-10-21-25(40)28(43)31(53-33-30(45)27(42)24(39)12(2)49-33)34(52-21)50-14-7-16(36)22-17(37)9-19(51-20(22)8-14)13-4-5-18(46-3)15(35)6-13/h4-8,11-12,19,21,23-36,38-45H,9-10H2,1-3H3/t11-,12-,19-,21-,23-,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-,34+/m0/s1
SMILES COc1ccc(C2CC(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)cc3O2)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleja madagascariensis Ref.
PlantaeRutaceaeCitrus junos Ref.
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