input word = C00024104

Metabolite InformationStructural formula
Name Swietenin B
Formula C30H38O9
Mw 542.25158281
CAS RN 128321-81-3
C_ID C00024104 ,
InChIKey URNHHDHCZWNQPA-CBOVPDOCNA-N
InChICode InChI=1S/C30H38O9/c1-7-20(31)38-26-17-12-16-18(30(5,24(17)34)23(28(26,2)3)22(33)27(35)36-6)8-10-29(4)19(16)13-21(32)39-25(29)15-9-11-37-14-15/h9,11-12,14,17-19,22-23,25-26,33H,7-8,10,13H2,1-6H3/t17-,18?,19+,22-,23+,25+,26-,29-,30-/m1/s1
SMILES [C@@H]1(C([C@@H]([C@]2([C@@H]3C(=C[C@@H]1C2=O)[C@H]1[C@@](CC3)([C@@H](OC(=O)C1)c1ccoc1)C)C)[C@H](C(=O)OC)O)(C)C)OC(=O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia mahagoni JACQ. Ref.
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