input word = C00049169

Metabolite InformationStructural formula
Name Glomeratose B
Formula C32H38O17
Mw 694.21089979
CAS RN 202471-85-0
C_ID C00049169 ,
InChIKey WAVHAANZAIZEDN-QLIICESFNA-N
InChICode InChI=1S/C32H38O17/c1-43-19-11-17(12-20(44-2)25(19)38)6-10-24(37)47-30-27(40)21(13-33)48-32(30,15-34)49-31-29(42)28(41)26(39)22(46-31)14-45-23(36)9-5-16-3-7-18(35)8-4-16/h3-12,21-22,26-31,33-35,38-42H,13-15H2,1-2H3/b9-5+,10-6+/t21-,22-,26-,27-,28+,29-,30+,31-,32+/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)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala glomerata Ref.
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