input word = C00063675

Metabolite InformationStructural formula
Name Sambacoside A
Formula C61H86O34
Mw 1362.5000499
CAS RN 115649-95-1
C_ID C00063675
InChIKey PCMFSBCRKKRDDK-UHFFFAOYSA-N
InChICode InChI=1S/C61H86O34/c1-8-26-30(34(53(78)81-5)21-86-56(26)93-59-50(75)47(72)44(69)38(16-63)90-59)12-41(66)84-19-25(15-62)29-11-37(89-43(68)14-32-28(10-3)58(88-23-36(32)55(80)83-7)95-61-52(77)49(74)46(71)40(18-65)92-61)24(4)33(29)20-85-42(67)13-31-27(9-2)57(87-22-35(31)54(79)82-6)94-60-51(76)48(73)45(70)39(17-64)91-60/h8-10,21-25,29-33,37-40,44-52,56-65,69-77H,11-20H2,1-7H3
SMILES CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCC(CO)C1CC(OC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)C(C)C1COC(=O)CC1C(C(=O)OC)=COC(OC2OC(CO)C(O)C(O)C2O)C1=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum sambac Ref.
zoom in