input word = C00049170

Metabolite InformationStructural formula
Name Glomeratose C
(-)-Glomeratose C
Formula C33H40O17
Mw 708.22654986
CAS RN 202471-87-2
C_ID C00049170 ,
InChIKey UJPKRVBOYSBABW-CKVHTEGPNA-N
InChICode InChI=1S/C33H40O17/c1-43-20-12-18(13-21(44-2)30(20)45-3)7-11-25(38)48-31-27(40)22(14-34)49-33(31,16-35)50-32-29(42)28(41)26(39)23(47-32)15-46-24(37)10-6-17-4-8-19(36)9-5-17/h4-13,22-23,26-29,31-32,34-36,39-42H,14-16H2,1-3H3/b10-6+,11-7+/t22-,23-,26-,27-,28+,29-,31+,32-,33+/m1/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@]2(CO)O[C@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala glomerata Ref.
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OrganismPolygala glomerata
ReferenceZhang,Phytochem.,47,(1998),45