input word = C00038834

Metabolite InformationStructural formula
Name Copteroside H
Formula C47H72O20
Mw 956.46169474
CAS RN 86438-32-6
C_ID C00038834 ,
InChIKey VMAYMNVJZYKARL-UHFFFAOYNA-N
InChICode InChI=1S/C47H72O20/c1-43(2)15-20-19(21(16-43)38(59)67-40-34(56)30(52)29(51)24(17-48)63-40)9-13-45(4)22(20)7-8-25-44(3)12-11-27(47(6,42(60)61)26(44)10-14-46(25,45)5)64-41-36(32(54)31(53)35(65-41)37(57)58)66-39-33(55)28(50)23(49)18-62-39/h7,19-21,23-36,39-41,48-56H,8-18H2,1-6H3,(H,57,58)(H,60,61)/t19-,20+,21-,23-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,39-,40-,41-,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(C(=O)O)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)C(=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
PlantaeChenopodiaceaeClimacoptera transoxana Ref.
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