input word = C00051031

Metabolite InformationStructural formula
Name Javanicoside C
Formula C32H40O16
Mw 680.23163523
CAS RN 713503-93-6
C_ID C00051031
InChIKey ITAQGRSJJGHHKP-ROXWJBKGNA-N
InChICode InChI=1S/C32H40O16/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/h6,8,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t15-,16-,19-,20+,21-,22-,23-,24-,25-,26+,28-,30+,31-,32+/m1/s1
SMILES COC(=O)[C@@]12OC[C@@]34[C@@H](CC5=C(C)C(=O)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=C[C@]5(C)[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)C=C(C)C)[C@@H]24
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea javanica Ref.
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