input word = C00040507

Metabolite InformationStructural formula
Name Toosendanin
Formula C30H38O11
Mw 574.24141206
CAS RN 58812-37-6
C_ID C00040507 ,
InChIKey NAHTXVIXCMUDLF-WWAUTWNBNA-N
InChICode InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17?,18+,19-,20+,21+,23?,24-,25+,26+,27+,28+,29?,30-/m0/s1
SMILES CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)C1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia toosendan Sieb.et Zuce. Ref.
PlantaeMeliaceaeToona sinensis Ref.
PlantaeTurneraceaeTurnera ulmifolia Ref.
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