input word = C00049848

Metabolite InformationStructural formula
Name Zygophyloside M
(+)-Zygophyloside M
Formula C41H66O12
Mw 750.45542757
CAS RN 199795-00-1
C_ID C00049848 ,
InChIKey LVPAYCUMUCPMRG-AEHBXEFFNA-N
InChICode InChI=1S/C41H66O12/c1-20-28(43)30(45)32(47)34(50-20)52-27-12-14-40(7)25(38(27,4)5)11-13-39(6)22-10-15-41(17-16-37(2,3)18-23(41)21(22)8-9-26(39)40)36(49)53-35-33(48)31(46)29(44)24(19-42)51-35/h8,20,22-35,42-48H,9-19H2,1-7H3/t20-,22-,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40+,41-/m1/s1
SMILES C1[C@]2([C@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C)(C)C)CC[C@@]1([C@@H]2CC=C2[C@H]1CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum gaetulum Ref.
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