input word = C00004277

Metabolite InformationStructural formula
Name Luteolin 7-neohesperidoside-4'-sophoroside
Formula C39H50O25
Mw 918.26411715
CAS RN 63043-64-1
C_ID C00004277 ,
InChIKey LCYHTMUIUGVIMS-ZQALPFMNNA-N
InChICode InChI=1S/C39H50O25/c1-11-24(46)28(50)32(54)36(56-11)63-34-30(52)26(48)21(9-41)61-38(34)57-13-5-15(44)23-16(45)7-18(58-19(23)6-13)12-2-3-17(14(43)4-12)59-39-35(31(53)27(49)22(10-42)62-39)64-37-33(55)29(51)25(47)20(8-40)60-37/h2-7,11,20-22,24-44,46-55H,8-10H2,1H3/t11-,20+,21-,22+,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-,34+,35+,36-,37-,38+,39+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1cc(c(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBurseraceaeHedwigia ciliata Ref.
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