input word = C00034853

Metabolite InformationStructural formula
Name Glypentoside C
p(-)-Glypentoside C
Formula C38H44O18
Mw 788.25276461
CAS RN 879215-60-8
C_ID C00034853 ,
InChIKey YBPAXDGFRSCBBN-YSFNGMQSNA-N
InChICode InChI=1S/C38H44O18/c1-48-25-8-6-20(13-24(25)42)53-36-34(31(45)30(44)28(15-40)54-36)56-37-35(46)38(47,17-52-37)16-51-29(43)9-4-18-10-21-22(14-39)32(55-33(21)27(11-18)50-3)19-5-7-23(41)26(12-19)49-2/h4-13,22,28,30-32,34-37,39-42,44-47H,14-17H2,1-3H3/b9-4+/t22-,28+,30+,31-,32-,34+,35-,36+,37-,38+/m0/s1
SMILES O1[C@H]([C@@H]([C@@](C1)(O)COC(=O)/C=C/c1cc2c(c(c1)OC)O[C@H]([C@H]2CO)c1ccc(c(c1)OC)O)O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc1ccc(c(c1)O)OC)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeGlycosmis pentaphylla Ref.
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