input word = C00058604

Metabolite InformationStructural formula
Name Meliatoxin A2
Formula C34H44O12
Mw 644.28327687
CAS RN 87617-82-1
C_ID C00058604
InChIKey RYOHUDAYJZTZOF-UHFFFAOYSA-N
InChICode InChI=1S/C34H44O12/c1-15(2)28(40)45-29-31(6)21-11-22(38)32(7)25(33(21,14-42-29)26(39)24(43-16(3)35)27(31)44-17(4)36)20(37)12-30(5)19(18-8-9-41-13-18)10-23-34(30,32)46-23/h8-9,13,15,19,21-27,29,38-39H,10-12,14H2,1-7H3
SMILES CC(=O)OC1C(OC(C)=O)C2(C)C(OC(=O)C(C)C)OCC3(C1O)C2CC(O)C1(C)C3C(=O)CC2(C)C(c3ccoc3)CC3OC321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
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OrganismMelia azedarach
ReferenceM. Nakatani et al., Chem. Abs., (1993), 121, 175125.