input word = C00003404

Metabolite InformationStructural formula
Name Asebotoxin II
Formula C23H36O6
Mw 408.25118888
CAS RN 23984-18-1
C_ID C00003404 ,
InChIKey VVXZWGWGAMWPOU-IAOMMNAENA-N
InChICode InChI=1S/C23H36O6/c1-6-18(26)29-19-14-8-7-13-12(2)15-9-16(24)20(3,4)23(15,28)17(25)10-22(13,19)11-21(14,5)27/h13-17,19,24-25,27-28H,2,6-11H2,1,3-5H3/t13-,14+,15-,16-,17+,19+,21+,22-,23-/m0/s1
SMILES [C@@H]12[C@]([C@@H](C[C@]34[C@H](C1=C)CC[C@H]([C@H]3OC(=O)CC)[C@](C4)(C)O)O)(C([C@H](C2)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiIncertae sedisPhoma betae Ref.
--Cephalosporium aphidicola Ref.
--Nigrospora sphaerica Ref.
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OrganismCephalosporium aphidicola
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52