input word = C00024105

Metabolite InformationStructural formula
Name Swietenin C
Formula C31H40O9
Mw 556.26723288
CAS RN 128321-82-4
C_ID C00024105 ,
InChIKey OMJVPONPQYCUTD-VWYWEBNCNA-N
InChICode InChI=1S/C31H40O9/c1-15(2)27(35)40-26-18-12-17-19(31(6,24(18)34)23(29(26,3)4)22(33)28(36)37-7)8-10-30(5)20(17)13-21(32)39-25(30)16-9-11-38-14-16/h9,11-12,14-15,18-20,22-23,25-26,33H,8,10,13H2,1-7H3/t18-,19+,20+,22-,23+,25+,26-,30-,31-/m1/s1
SMILES COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@@H]2C=C3[C@@H]4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSwietenia humilis Zucc. Ref.
PlantaeMeliaceaeSwietenia mahagoni JACQ. Ref.
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