input word = C00024092

Metabolite InformationStructural formula
Name Mahagonin
Formula C54H64O16
Mw 968.419436
CAS RN 131572-28-6
C_ID C00024092 ,
InChIKey MKYFEWODHCPJRO-UZSJUMBDNA-N
InChICode InChI=1S/C54H64O16/c1-48(2)39(37(57)46(61)64-9)53(8)31-12-16-51(6)33(22-36(56)69-45(51)26-14-18-67-24-26)28(31)20-34(43(48)60)54(53,63)70-38(47(62)65-10)40-49(3,4)41(58)29-19-27-30(52(40,7)42(29)59)11-15-50(5)32(27)21-35(55)68-44(50)25-13-17-66-23-25/h13-14,17-18,21-24,29,34,37-41,43-45,57-58,60,63H,11-12,15-16,19-20H2,1-10H3/t29-,34+,37+,38-,39-,40+,41-,43+,44-,45+,50+,51+,52-,53-,54-/m0/s1
SMILES COC(=O)C(OC1(O)C2CC3=C(CCC4(C)C3=CC(=O)OC4c3ccoc3)C1(C)[C@@H]([C@@H](O)C(=O)OC)C(C)(C)[C@@H]2O)C1C2(C)C(=O)C(CC3=C2CCC2(C)C3=CC(=O)OC2c2ccoc2)C(O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia mahagoni JACQ. Ref.
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OrganismSwietenia mahagoni JACQ.
ReferenceKadota S.,Tetrahedron Lett.,31,(1990),5943-5946