input word = C00004351

Metabolite InformationStructural formula
Name Luteolin 3'-methyl ether 7-sophorotrioside
Formula C34H42O21
Mw 786.22185841
CAS RN 63069-54-5
C_ID C00004351 ,
InChIKey RTUQRPMCWAPPGZ-ZFTIWVLONA-N
InChICode InChI=1S/C34H42O21/c1-48-17-4-11(2-3-13(17)38)16-7-15(40)22-14(39)5-12(6-18(22)50-16)49-33-30(27(45)24(42)20(9-36)52-33)55-34-31(28(46)25(43)21(10-37)53-34)54-32-29(47)26(44)23(41)19(8-35)51-32/h2-7,19-21,23-39,41-47H,8-10H2,1H3/t19-,20-,21-,23-,24-,25-,26+,27+,28+,29-,30-,31+,32+,33-,34+/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(c(c1)OC)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)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis romana Ref.
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