input word = C00056875

Metabolite InformationStructural formula
Name Sambacolignoside
Formula C43H54O22
Mw 922.31067341
CAS RN 114449-12-6
C_ID C00056875
InChIKey URBPIXMUXQEKHZ-SDPNRITHSA-N
InChICode InChI=1S/C43H54O22/c1-5-20-21(22(39(54)57-4)14-60-40(20)64-41-35(52)33(50)31(48)28(13-44)62-41)12-30(47)58-16-29-32(49)34(51)36(53)42(63-29)65-43-17-61-37(18-6-8-24(45)26(10-18)55-2)23(43)15-59-38(43)19-7-9-25(46)27(11-19)56-3/h5-11,14,21,23,28-29,31-38,40-42,44-46,48-53H,12-13,15-17H2,1-4H3/b20-5-
SMILES OCC1OC(OC2OC=C(C(OC)=O)C(CC(OCC3C(O)C(O)C(O)C(OC4(C(C5=CC=C(O)C(OC)=C5)OC6)C6C(C7=CC=C(O)C(OC)=C7)OC4)O3)=O)/C2=C/C)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum sambac Ref.
zoom in