input word = C00040506

Metabolite InformationStructural formula
Name Toosendanal
(-)-Toosendanal
Formula C30H36O10
Mw 556.23084737
CAS RN 244179-29-1
C_ID C00040506 ,
InChIKey BINBBIDTGQIZCH-FFDSGWHWNA-N
InChICode InChI=1S/C30H36O10/c1-13(31)38-20-10-21-30-12-37-26(40-21)28(20,4)18(30)9-19(34)29(5)23-17(33)8-16(15-6-7-36-11-15)27(23,3)25(39-14(2)32)22(35)24(29)30/h6-7,11,16,18-21,23-26,34H,8-10,12H2,1-5H3/t16-,18-,19+,20-,21+,23-,24-,25-,26-,27-,28+,29-,30+/m0/s1
SMILES CC(=O)O[C@H]1C[C@H]2O[C@@H]3OC[C@@]24[C@@H](C[C@@H](O)[C@@]2(C)[C@@H]5C(=O)C[C@@H](c6ccoc6)[C@]5(C)[C@@H](OC(C)=O)C(=O)[C@@H]24)C31C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia toosendan Sieb.et Zuce. Ref.
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