input word = C00030583

Metabolite InformationStructural formula
Name Kalidiumoside C
Formula C41H62O14
Mw 778.41395669
CAS RN 958636-12-9
C_ID C00030583 ,
InChIKey GMBHYPZNKQOMMQ-PUMPIIPFNA-N
InChICode InChI=1S/C41H62O14/c1-36(21-53-29(45)18-28(44)51-6)14-16-41(35(50)55-33-32(48)31(47)30(46)24(20-42)54-33)17-15-38(3)22(23(41)19-36)8-9-25-37(2)12-11-27(43)40(5,34(49)52-7)26(37)10-13-39(25,38)4/h8,23-27,30-33,42-43,46-48H,9-21H2,1-7H3/t23-,24+,25+,26+,27-,30-,31-,32+,33-,36+,37-,38+,39+,40-,41-/m0/s1
SMILES C1[C@@H]([C@]([C@H]2[C@@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CC[C@@](C1)(C)COC(=O)CC(=O)OC)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C(=O)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeKalidium foliatum Ref.
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