input word = C00035847

Metabolite InformationStructural formula
Name Javanicoside L
(-)-Javanicoside L
Formula C32H46O16
Mw 686.27858542
CAS RN 827018-84-8
C_ID C00035847 ,
InChIKey POUGEQYQLBGWLB-BIGIWKEQNA-N
InChICode InChI=1S/C32H46O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,12-16,18-26,28,33,35-40H,7-10H2,1-5H3/t12-,13-,14+,15+,16+,18-,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1
SMILES [C@@H]1([C@H]([C@H]([C@H]2[C@](C1)([C@@H]1[C@@]34[C@@H](C2)OC(=O)[C@@H]([C@H]3[C@@]([C@H]([C@@H]1O)O)(OC4)C(=O)OC)OC(=O)C=C(C)C)C)C)O)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
PlantaeSimaroubaceaeBrucea amarissima (Lour.) Desv.ex B.A.Gomes Ref.
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