input word = C00038384

Metabolite InformationStructural formula
Name Ageratoside C1
(-)-Ageratoside C1
Formula C41H62O15
Mw 794.40887131
CAS RN 233761-50-7
C_ID C00038384 ,
InChIKey VNVQGMPVWXBPFO-LNJFIHKFNA-N
InChICode InChI=1S/C41H62O16/c1-36(2)11-18-17-7-8-22-37(3)12-19(43)31(57-33-29(49)27(47)30(21(15-42)54-33)56-32-28(48)26(46)20(44)16-53-32)40(6,34(50)51)23(37)9-10-38(22,4)39(17,5)13-24(45)41(18)14-25(36)55-35(41)52/h7,18-33,42-49H,8-16H2,1-6H3,(H,50,51)/t18-,19-,20+,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31-,32-,33-,37+,38+,39+,40-,41+/m0/s1
SMILES [C@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]3([C@@H](C2)O)C[C@@H](C(C1)(C)C)OC3=O)C)C)C)(C)C(=O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAster ageratoides Turez var. ovatus Nakai Ref.
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