input word = C00048169

Metabolite InformationStructural formula
Name Swietenitin G
(-)-Swietenitin G
Formula C41H52O18
Mw 832.31536486
CAS RN 1173892-09-5
C_ID C00048169 ,
InChIKey UOXYGCFXPXLKRL-UHFFFAOYNA-N
InChICode InChI=1S/C41H52O18/c1-19-35(7,55-19)32(48)54-30-34(6)18-38-36(8,24(34)14-27(46)49-10)41-26(45)16-33(5,29(52-20(2)42)23-12-13-51-17-23)25(15-28(47)50-11)39(41,58-37(9,57-38)59-41)31(53-21(3)43)40(30,38)56-22(4)44/h12-13,17,19,24-26,29-31,45H,14-16,18H2,1-11H3/t19-,24+,25+,26-,29-,30+,31+,33-,34-,35-,36-,37-,38-,39-,40+,41+/m0/s1
SMILES [C@H]1([C@]23[C@]4([C@@H]([C@](C1)([C@@H](OC(=O)C)c1ccoc1)C)CC(=O)OC)[C@H]([C@]1([C@]5([C@@]2([C@@H]([C@@]([C@H]1OC(=O)[C@@]1([C@@H](O1)C)C)(C5)C)CC(=O)OC)C)O[C@@](O4)(O3)C)OC(=O)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia macrophylla Ref.
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