input word = C00003324

Metabolite InformationStructural formula
Name Mellitoxin
Formula C15H18O7
Mw 310.10525293
CAS RN 3484-46-6
C_ID C00003324 ,
InChIKey DWCJGLPGZULWPZ-XANKYBGENA-N
InChICode InChI=1S/C15H18O7/c1-5(2)14(18)6-11(17)22-8(14)7(16)12(3)13(4-20-13)9-10(21-9)15(6,12)19/h6-10,16,18-19H,1,4H2,2-3H3/t6-,7-,8?,9-,10+,12+,13-,14-,15+/m1/s1
SMILES [C@H]1([C@H]2[C@]([C@H]([C@]3([C@@]1([C@]1([C@H]4[C@@H]3O4)CO1)C)O)C(=O)O2)(C(=C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeToxicodendron globosum Ref.
PlantaeCoriariaceaeCoriaria arborea Ref.
--Scolypopa australis Ref.
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OrganismCoriaria arborea
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51