input word = C00037764

Metabolite InformationStructural formula
Name Safghanoside G
(-)-Safghanoside G
Formula C49H60O23
Mw 1016.35253823
CAS RN 482648-22-6
C_ID C00037764 ,
InChIKey ATNWABSJOLJUJM-LTPVSYEONA-N
InChICode InChI=1S/C49H60O23/c1-4-28-30(18-36(53)64-16-14-24-6-10-26(52)11-7-24)33(23-67-46(28)71-48-42(59)40(57)38(55)34(20-50)69-48)45(62)65-17-15-25-8-12-27(13-9-25)68-37(54)19-31-29(5-2)47(66-22-32(31)44(61)63-3)72-49-43(60)41(58)39(56)35(21-51)70-49/h4-13,22-23,30-31,34-35,38-43,46-52,55-60H,14-21H2,1-3H3/b28-4+,29-5+/t30-,31+,34-,35-,38-,39-,40+,41+,42-,43-,46+,47+,48+,49+/m1/s1
SMILES C1(=CO[C@H](/C(=C/C)/[C@@H]1CC(=O)Oc1ccc(cc1)CCOC(=O)C1=CO[C@H](/C(=C/C)/[C@H]1CC(=O)OCCc1ccc(cc1)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeSyringa afghanica Ref.
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