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CHEBI:51015 - fusicoccin

ChEBI IDCHEBI:51015
ChEBI Namefusicoccin
Stars
Secondary ChEBI IDsCHEBI:24132, CHEBI:42580
Last Modified27 November 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC36H56O12
Net Charge0
Average Mass680.832
Monoisotopic Mass680.37718
SMILES[H][C@@]12CC[C@H](COC)/C1=C/[C@]1(C)C(=C([C@H](C)COC(C)=O)C[C@@H]1O)[C@@H](O[C@H]1O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](OC(C)=O)[C@H]1O)[C@H](O)[C@@H]2C
InChIInChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
InChIKeyKXTYBXCEQOANSX-WYKQKOHHSA-N
Roles Classification
Biological Role:
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
ChEBI Ontology
Outgoing Relation(s)
fusicoccin (CHEBI:51015) has role toxin (CHEBI:27026)
fusicoccin (CHEBI:51015) is a acetate ester (CHEBI:47622)
IUPAC Name 
(2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-4-{[3-O-acetyl-6-O-(1,1-dimethylprop-2-en-1-yl)-α-D-glucopyranosyl]oxy}-1,5-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-3-yl]propyl acetate
Synonym  Source
FUSICOCCINPDBeChem
Manual XrefsDatabases
FSCPDBeChem
DB01780DrugBank
Registry NumbersSources
CAS:20108-30-9ChemIDplus