input word = C00021005

Metabolite InformationStructural formula
Name Macrocliniside H
Formula C21H30O9
Mw 426.18898256
CAS RN 100187-64-2
C_ID C00021005 ,
InChIKey MVARJRSZLKCXMI-SRHRXGJXNA-N
InChICode InChI=1S/C21H30O9/c1-8-4-14(23)13(10(3)20(27)28)5-12-9(2)15(6-11(8)12)29-21-19(26)18(25)17(24)16(7-22)30-21/h11-19,21-26H,1-7H2,(H,27,28)/t11-,12+,13+,14-,15-,16+,17+,18-,19+,21+/m0/s1
SMILES [C@@H]12[C@H](C[C@@H]([C@H](CC1=C)O)C(=C)C(=O)O)C(=C)[C@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMacroclinidium trilobum Ref.
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