input word = C00038830

Metabolite InformationStructural formula
Name Copteroside D
Formula C47H76O18
Mw 928.50316563
CAS RN 86438-28-0
C_ID C00038830 ,
InChIKey FZVVOOWQJMEREY-UHFFFAOYNA-N
InChICode InChI=1S/C47H76O18/c1-43(2)15-22-21(23(16-43)39(59)65-41-37(58)34(55)32(53)26(17-48)61-41)9-13-46(5)24(22)7-8-29-44(3)12-11-30(45(4,20-50)28(44)10-14-47(29,46)6)63-42-38(35(56)33(54)27(18-49)62-42)64-40-36(57)31(52)25(51)19-60-40/h7,21-23,25-38,40-42,48-58H,8-20H2,1-6H3/t21-,22+,23+,25+,26-,27-,28+,29-,30-,31+,32-,33-,34+,35-,36+,37-,38-,40+,41+,42+,44+,45-,46-,47+/m1/s1
SMILES C1(C[C@@H]([C@H]2[C@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(CC[C@H]1[C@@]3(CC[C@H]([C@@]1(CO)C)O[C@@H]1O[C@@H]([C@H]([C@H]([C@H]1O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O)CO)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
PlantaeChenopodiaceaeClimacoptera transoxana Ref.
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