input word = C00048175

Metabolite InformationStructural formula
Name Swietenitin M
Formula C44H56O20
Mw 904.33649423
CAS RN 1173892-15-3
C_ID C00048175 ,
InChIKey GGDXKDBYBCWLOW-UHFFFAOYNA-N
InChICode InChI=1S/C44H56O20/c1-13-28(48)58-33-42(61-24(5)47)32(59-34(51)37(8)21(2)60-37)35(6)20-40(42,52)38(9,26(35)16-29(49)53-11)43-27(56-22(3)45)17-36(7,31(57-23(4)46)25-14-15-55-19-25)41(18-30(50)54-12)44(33,43)64-39(10,62-41)63-43/h14-15,19,21,26-27,31-33,52H,13,16-18,20H2,1-12H3/t21-,26+,27-,31-,32-,33+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-/m0/s1
SMILES CCC(=O)OC1C2(OC(C)=O)C(OC(=O)C3(C)OC3C)C3(C)CC2(O)C(C)(C3CC(=O)OC)C23OC4(C)OC(CC(=O)OC)(C(C)(C(OC(C)=O)c5ccoc5)CC2OC(C)=O)C13O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
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