input word = C00038832

Metabolite InformationStructural formula
Name Copteroside F
Formula C52H82O23
Mw 1074.52468893
CAS RN 86438-30-4
C_ID C00038832 ,
InChIKey BUAUZVWHAWJEOO-UHFFFAOYNA-N
InChICode InChI=1S/C52H82O23/c1-48(2)15-22-21(23(16-48)43(67)75-46-37(63)34(60)33(59)27(17-53)70-46)9-13-51(5)24(22)7-8-29-49(3)12-11-30(50(4,20-54)28(49)10-14-52(29,51)6)71-47-40(73-45-36(62)32(58)26(56)19-69-45)38(64)39(41(74-47)42(65)66)72-44-35(61)31(57)25(55)18-68-44/h7,21-23,25-41,44-47,53-64H,8-20H2,1-6H3,(H,65,66)/t21-,22+,23+,25+,26+,27-,28-,29+,30+,31+,32+,33+,34-,35-,36+,37+,38+,39-,40+,41+,44+,45+,46-,47+,49-,50+,51-,52+/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[C@@H]1OC[C@@H]([C@@H]([C@H]1O)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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