input word = C00021002

Metabolite InformationStructural formula
Name Macrocliniside B
Formula C27H38O13
Mw 570.2312413
CAS RN 94474-62-1
C_ID C00021002 ,
InChIKey HHEXGBDGNYRZLI-VYZVTEANNA-N
InChICode InChI=1S/C27H38O13/c1-9-4-5-12-10(2)25(35)39-23(12)17-11(3)14(6-13(9)17)36-27-22(34)24(19(31)16(8-29)38-27)40-26-21(33)20(32)18(30)15(7-28)37-26/h12-24,26-34H,1-8H2/t12-,13-,14-,15+,16-,17-,18+,19+,20-,21+,22+,23-,24-,26-,27+/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H](CCC1=C)C(=C)C(=O)O3)C(=C)[C@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMacroclinidium trilobum Ref.
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