input word = C00057000

Metabolite InformationStructural formula
Name Sativoside R1
Formula C62H104O33
Mw 1376.64598585
CAS RN 126594-43-2
C_ID C00057000
InChIKey JQPXHZSJQFUIOM-UHFFFAOYSA-N
InChICode InChI=1S/C62H104O33/c1-22(20-83-54-46(78)42(74)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-56-48(80)44(76)50(35(19-67)90-56)91-59-53(52(41(73)34(18-66)89-59)93-55-45(77)37(69)29(68)21-84-55)94-58-49(81)51(40(72)33(17-65)88-58)92-57-47(79)43(75)39(71)32(16-64)87-57/h22-59,63-82H,5-21H2,1-4H3
SMILES OC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC3CC4C5CCC6CC(OC7OC(CO)C(OC8C(OC9C(O)C(OC%10C(O)C(O)C(O)C(CO)O%10)C(O)C(CO)O9)C(OC%11C(O)C(O)C(O)CO%11)C(O)C(CO)O8)C(O)C7O)CCC6(C)C5CCC4(C)C3C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativum Ref.
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