input word = C00056999

Metabolite InformationStructural formula
Name Sativoside B1
Formula C63H106O35
Mw 1422.65146516
CAS RN 126594-42-1
C_ID C00056999
InChIKey QYITWZRZMMUYMO-UHFFFAOYSA-N
InChICode InChI=1S/C63H106O35/c1-21(20-86-55-46(80)42(76)37(71)30(14-64)88-55)5-10-63(85)22(2)36-29(98-63)13-26-24-12-28(70)27-11-23(6-8-61(27,3)25(24)7-9-62(26,36)4)87-56-49(83)45(79)51(35(19-69)93-56)94-60-54(53(41(75)34(18-68)92-60)96-58-48(82)44(78)39(73)32(16-66)90-58)97-59-50(84)52(40(74)33(17-67)91-59)95-57-47(81)43(77)38(72)31(15-65)89-57/h21-60,64-85H,5-20H2,1-4H3
SMILES OC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC3CC4C5CC(O)C6CC(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)C(CO)O%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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