input word = C00063882

Metabolite InformationStructural formula
Name Primacrosaponin
Formula C54H88O25
Mw 1136.56146836
CAS RN 144357-42-6
C_ID C00063882
InChIKey RAPBLJAKDKLPQX-UHFFFAOYSA-N
InChICode InChI=1S/C54H88O25/c1-20-29(59)32(62)35(65)43(71-20)77-40-34(64)31(61)22(19-56)73-45(40)75-38-37(67)39(42(68)69)76-46(41(38)78-44-36(66)33(63)30(60)21(18-55)72-44)74-28-11-12-50(6)23(49(28,4)5)9-13-51(7)24(50)10-14-53-25-15-48(2,3)16-26(57)54(25,47(70)79-53)27(58)17-52(51,53)8/h20-41,43-47,55-67,70H,9-19H2,1-8H3,(H,68,69)
SMILES CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(OC4CCC5(C)C(CCC6(C)C5CCC57OC(O)C8(C(O)CC(C)(C)CC85)C(O)CC67C)C4(C)C)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePrimulaceaePrimula veris Ref.
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