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 CC1=CCC2(C(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum gaetulum Ref.
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