input word = C00040549

Metabolite InformationStructural formula
Name Trichilin H
Formula C86H46O14
Mw 1302.28875618
CAS RN 156250-68-9
C_ID C00040549 ,
InChIKey ZXYBAVNFURYQBW-UHFFFAOYNA-N
InChICode InChI=1S/C36H46O14/c1-15(2)30(43)49-31-32(6)21-12-22(40)34(8)26(35(21,14-45-31)27(42)25(46-16(3)37)29(32)48-18(5)39)24(41)28(47-17(4)38)33(7)20(19-9-10-44-13-19)11-23-36(33,34)50-23/h9-10,13,15,20-23,25-29,31,40,42H,11-12,14H2,1-8H3/t20-,21+,22+,23+,25-,26-,27-,28-,29+,31+,32-,33+,34-,35+,36+/m1/s1
SMILES CC(=O)OC1C(OC(C)=O)C2(C)C(OC(=O)C(C)C)OCC3(C1O)C2CC(O)C1(C)C3C(=O)C(OC(C)=O)C2(C)C(c3ccoc3)CC3OC321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia toosendan Sieb.et Zuce. Ref.
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OrganismMelia azedarach
ReferenceTada, et al., Phytochemistry, 51, (1999), 787.

ZHOU, et al., Chem Pharm Bull, 53, (2005), 1362