input word = C00031842

Metabolite InformationStructural formula
Name Gypenoside XLVIII
Formula C53H88O22
Mw 1076.5767245
CAS RN 95014-61-2
C_ID C00031842 ,
InChIKey JDQRFARSVKIANC-UHFFFAOYNA-N
InChICode InChI=1S/C53H88O22/c1-24(2)9-8-15-53(67,23-69-45-40(64)38(62)35(59)29(19-54)71-45)27-12-16-50(6)26(27)10-11-32-51(50,7)17-13-31-49(4,5)33(14-18-52(31,32)22-56)73-48-44(75-46-41(65)37(61)34(58)25(3)70-46)43(28(57)21-68-48)74-47-42(66)39(63)36(60)30(20-55)72-47/h9,22,25-48,54-55,57-67H,8,10-21,23H2,1-7H3/t25-,26+,27-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42+,43+,44-,45+,46-,47+,48+,50-,51-,52-,53+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@@H](CC1)[C@@H](CC2)[C@@](CCC=C(C)C)(O)CO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)C)C)C=O)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
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