input word = C00048048

Metabolite InformationStructural formula
Name Pedunculoside
(+)-Pedunculoside
Formula C36H58O10
Mw 650.40299807
CAS RN 42719-32-4
C_ID C00048048 ,
InChIKey LARPFJIXBULVPK-ZUOWAKMDNA-N
InChICode InChI=1S/C36H58O10/c1-19-9-14-36(30(43)46-29-27(42)26(41)25(40)21(17-37)45-29)16-15-33(4)20(28(36)35(19,6)44)7-8-23-31(2)12-11-24(39)32(3,18-38)22(31)10-13-34(23,33)5/h7,19,21-29,37-42,44H,8-18H2,1-6H3/t19-,21-,22-,23-,24+,25-,26+,27-,28-,29+,31-,32+,33-,34-,35-,36+/m1/s1
SMILES [C@@]1([C@@H]2[C@](CC[C@H]1C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@]2(CC[C@@H]([C@@]1(C)CO)O)C)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex pedunculosa Ref.
PlantaeAquifoliaceaeIlex rotunda Ref.
PlantaeNitrariaceaePeganum harmala Ref.
PlantaeRosaceaeRubus ellipticus var.obcordatus Ref.
PlantaeTheaceae/Pentaphylacaceae/TernstroemiaceaeAdinandra nitida Ref.
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