input word = C00040121

Metabolite InformationStructural formula
Name Putranoside D
Formula C53H84O22
Mw 1072.54542437
CAS RN 51161-59-2
C_ID C00040121 ,
InChIKey UQHBWSINGAJKLY-UHFFFAOYNA-N
InChICode InChI=1S/C53H84O22/c1-22-30(56)33(59)36(62)44(69-22)72-39-38(64)46(74-41(42(65)66)40(39)73-43-35(61)31(57)25(55)21-68-43)71-29-12-13-50(6)27(49(29,4)5)11-14-52(8)28(50)10-9-23-24-19-48(2,3)15-17-53(24,18-16-51(23,52)7)47(67)75-45-37(63)34(60)32(58)26(20-54)70-45/h9,22,24-41,43-46,54-64H,10-21H2,1-8H3,(H,65,66)/t22-,24+,25+,26-,27+,28-,29+,30-,31+,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,43+,44+,45-,46+,50-,51-,52-,53+/m1/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@]3(CC[C@@H](C1(C)C)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C(=O)O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)O)C)C)C(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaePutranjiva roxburghii Ref.
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