input word = C00039594

Metabolite InformationStructural formula
Name Kotschyin A
(-)-Kotschyin A
Formula C39H48O16
Mw 772.29423549
CAS RN 926896-44-8
C_ID C00039594 ,
InChIKey PLNWCPKDDIKITN-XDAHZDGGNA-N
InChICode InChI=1S/C39H48O16/c1-19(2)29(45)51-31-38-25(15-26(43)46-9)32(6,28(49-20(3)40)23-10-13-47-16-23)11-12-36(38)35-18-48-27(44)14-24(35)33(7)17-37(35,54-34(8,53-36)55-38)39(31,52-22(5)42)30(33)50-21(4)41/h10,13,16,19,24-25,28,30-31H,11-12,14-15,17-18H2,1-9H3/t24-,25+,28-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-/m0/s1
SMILES [C@@]123[C@@H]([C@@]4([C@@]56[C@]7([C@H]([C@@]([C@@H]4OC(=O)C)(C)C6)CC(=O)OC7)[C@]1(CC[C@]([C@H]3CC(=O)OC)([C@@H](OC(=O)C)c1ccoc1)C)O[C@@](O2)(O5)C)OC(=O)C)OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaePseudocedrela kotschyi Ref.
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OrganismPseudocedrela kotschyi
ReferenceHay,J.Nat.Prod.,70,(2007),9