input word = C00038194

Metabolite InformationStructural formula
Name 1-O-Acetyltrichilin H
(-)-1-O-Acetyltrichilin H
Formula C38H48O15
Mw 744.29932087
CAS RN 181799-11-1
C_ID C00038194 ,
InChIKey SLEYQPAPEGEFEM-ICJAZXEQNA-N
InChICode InChI=1S/C38H48O15/c1-16(2)32(45)52-33-34(7)23-13-24(43)36(9)28(37(23,15-47-33)31(51-20(6)42)27(48-17(3)39)30(34)50-19(5)41)26(44)29(49-18(4)40)35(8)22(21-10-11-46-14-21)12-25-38(35,36)53-25/h10-11,14,16,22-25,27-31,33,43H,12-13,15H2,1-9H3/t22-,23-,24+,25+,27-,28-,29-,30+,31-,33-,34+,35+,36+,37-,38?/m0/s1
SMILES [C@H]1(OC(=O)C(C)C)[C@]2([C@@H]([C@@H]([C@@H]([C@]3([C@H]2C[C@H]([C@@]2([C@@H]3C(=O)[C@@H]([C@@]3([C@@]42O[C@@H]4C[C@H]3c2cocc2)C)OC(=O)C)C)O)CO1)OC(=O)C)OC(=O)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia toosendan Ref.
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OrganismMelia toosendan
ReferenceNakatani,Phytochem.,52,(1999),709