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 COC(=O)C[C@@H]1[C@](C)([C@@H](OC(C)=O)c2ccoc2)CC[C@@]23O[C@@]4(C)O[C@@]12[C@H](OC(=O)C(C)C)[C@@]1(OC(C)=O)[C@@H](OC(C)=O)[C@]2(C)C[C@@]1(O4)[C@@]31COC(=O)C[C@@H]21
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