input word = C00039742

Metabolite InformationStructural formula
Name Meliatoxin B1
Formula C35H46O12
Mw 658.29892693
CAS RN 87617-81-0
C_ID C00039742 ,
InChIKey PGTAYRVRANEPEM-UHFFFAOYNA-N
InChICode InChI=1S/C35H46O12/c1-8-16(2)30(42)47-31-34(7)23-12-24(40)33(6)22-11-20(38)25(19-9-10-43-14-19)32(22,5)13-21(39)27(33)35(23,15-44-31)28(41)26(45-17(3)36)29(34)46-18(4)37/h9-10,14,16,22-29,31,40-41H,8,11-13,15H2,1-7H3/t16-,22+,23+,24-,25-,26-,27+,28-,29+,31-,32+,33+,34-,35+/m1/s1
SMILES CCC(C)C(=O)OC1OCC23C(O)C(OC(C)=O)C(OC(C)=O)C1(C)C2CC(O)C1(C)C2CC(=O)C(c4ccoc4)C2(C)CC(=O)C13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia toosendan Sieb.et Zuce. Ref.
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