input word = C00039611

Metabolite InformationStructural formula
Name Lemnaloside A
(+)-Lemnaloside A
Formula C28H46O7
Mw 494.32435382
CAS RN 942153-35-7
C_ID C00039611 ,
InChIKey NUFWENCOYDWSEV-OMQDWVKONA-N
InChICode InChI=1S/C28H46O7/c1-16(2)8-7-9-18(4)20-12-13-28(6,22-11-10-17(3)14-21(20)22)35-27-26(32)25(31)24(30)23(34-27)15-33-19(5)29/h8,14,18,20-27,30-32H,7,9-13,15H2,1-6H3/t18-,20+,21+,22+,23-,24+,25+,26-,27+,28+/m1/s1
SMILES C1C[C@]([C@@H]2[C@H]([C@@H]1[C@@H](CCC=C(C)C)C)C=C(CC2)C)(C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lemnalia sp. Ref.
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