input word = C00043791

Metabolite InformationStructural formula
Name Ohchinolal
Formula C34H44O10
Mw 612.29344763
CAS RN 86160-86-3
C_ID C00043791 ,
InChIKey JOVDKZRXWAATEG-RQZCQDPDNA-N
InChICode InChI=1S/C34H44O10/c1-9-17(2)31(39)44-25-14-24(37)32(5,16-35)29-28(42-19(4)36)30-34(7,23(33(25,29)6)13-26(38)40-8)27-18(3)21(12-22(27)43-30)20-10-11-41-15-20/h9-11,15-16,21-25,28-30,37H,12-14H2,1-8H3/b17-9+/t21-,22+,23+,24-,25-,28+,29-,30-,32+,33+,34+/m1/s1
SMILES [C@H]1(C[C@H]([C@]2([C@@H]([C@]1(C=O)C)[C@@H]([C@@H]1[C@@]([C@H]2CC(=O)OC)(C2=C([C@@H](C[C@@H]2O1)c1ccoc1)C)C)OC(=O)C)C)OC(=O)/C(=C/C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azadirach Ref.
PlantaeMeliaceaeMelia azedarach Ref.
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OrganismMelia azedarach
ReferenceZhou,J.Nat.Prod.,67,(2004),1544