input word = C00049847

Metabolite InformationStructural formula
Name Zygophyloside L
(+)-Zygophyloside L
Formula C53H86O21
Mw 1058.56615981
CAS RN 199794-95-1
C_ID C00049847 ,
InChIKey ICTLJGLVMOPKOI-OGTCDCIXNA-N
InChICode InChI=1S/C53H86O21/c1-22-11-16-53(48(66)74-45-41(65)38(62)35(59)27(19-54)69-45)18-17-51(7)25(32(53)23(22)2)9-10-30-50(6)14-13-31(49(4,5)29(50)12-15-52(30,51)8)71-47-43(39(63)36(60)28(20-55)70-47)73-46-42(34(58)26(56)21-67-46)72-44-40(64)37(61)33(57)24(3)68-44/h11,23-47,54-65H,9-10,12-21H2,1-8H3/t23-,24-,25+,26-,27+,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,50-,51+,52+,53+/m0/s1
SMILES C1[C@]2([C@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@]1(CC[C@]1([C@H]2[C@H](C(=CC1)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum gaetulum Ref.
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