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 CC(=O)OC[C@H]1O[C@@H](O[C@@]2(C)CC[C@@H]([C@H](C)CCC=C(C)C)[C@@H]3C=C(C)CC[C@@H]32)[C@H](O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lemnalia sp. Ref.
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