input word = C00037972

Metabolite InformationStructural formula
Name Umbilicaxanthoside B
(-)-Umbilicaxanthoside B
Formula C36H46O16
Mw 734.27858542
CAS RN 534584-93-5
C_ID C00037972 ,
InChIKey YLEGIEQVRCJSJM-IGXXKPNWNA-N
InChICode InChI=1S/C36H46O16/c1-14(2)6-8-16-10-20(47-5)33-24(25(16)40)27(42)23-17(9-7-15(3)4)19(11-18(39)32(23)51-33)48-35-31(46)29(44)34(22(13-38)50-35)52-36-30(45)28(43)26(41)21(12-37)49-36/h6-7,10-11,21-22,26,28-31,34-41,43-46H,8-9,12-13H2,1-5H3/t21-,22-,26-,28+,29+,30-,31-,34-,35-,36-/m1/s1
SMILES c12c(oc3c(c1=O)c(c(cc3O)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)CC=C(C)C)c(cc(c2O)CC=C(C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiUmbilicariaceaeUmbilicaria proboscidea (L.) Schrader Ref.
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