input word = C00037738

Metabolite InformationStructural formula
Name Ilexoside L
(+)-Ilexoside L
Rivaloside E
(+)-Rivaloside E
Formula C42H66O15
Mw 810.44017144
CAS RN 148031-74-7
C_ID C00037738 ,
InChIKey GZNCPAASLBFTKY-IHPUMTCMNA-N
InChICode InChI=1S/C42H66O15/c1-37(2)12-14-42(36(53)57-34-29(49)26(46)25(45)22(18-43)54-34)15-13-40(6)19(20(42)16-37)8-9-24-39(5)17-21(44)32(38(3,4)23(39)10-11-41(24,40)7)56-35-30(50)27(47)28(48)31(55-35)33(51)52/h8,20-32,34-35,43-50H,9-18H2,1-7H3,(H,51,52)/t20-,21+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31-,32+,34-,35-,39-,40+,41+,42-/m0/s1
SMILES [C@@H]1([C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex rotunda Ref.
PlantaeRubiaceaeGalium rivale Ref.
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OrganismIlex rotunda
ReferenceTan,Phytochem.,52,(1999),153