input word = C00051034

Metabolite InformationStructural formula
Name Javanicoside F
Formula C33H44O16
Mw 696.26293536
CAS RN 713503-96-9
C_ID C00051034
InChIKey SVLMUIWHTIHSPF-MBVOFBEWNA-N
InChICode InChI=1S/C33H44O16/c1-6-12(2)7-18(35)49-24-26-32-11-45-33(26,30(43)44-5)27(41)23(40)25(32)31(4)9-15(19(36)13(3)14(31)8-17(32)48-28(24)42)46-29-22(39)21(38)20(37)16(10-34)47-29/h7,9,13-14,16-17,20-27,29,34,37-41H,6,8,10-11H2,1-5H3/b12-7+/t13-,14-,16+,17+,20+,21-,22+,23+,24+,25+,26+,27-,29+,31-,32+,33-/m0/s1
SMILES CC/C(C)=C/C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3[C@H](C)C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C[C@]3(C)[C@H]3[C@@H](O)[C@H](O)[C@@]4(C(=O)OC)OC[C@]32[C@@H]14
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeBrucea javanica Ref.
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