CHEBI:224951 - Aphidicolin A56

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aphidicolin A56
ChEBI ID CHEBI:224951
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.455
Monoisotopic Mass 350.20932
InChI InChI=1S/C20H30O5/c1-17(9-21)14(23)3-4-18(2)16(17)13(22)7-11-15-12-8-19(11,18)5-6-20(12,24)10-25-15/h7,12-16,21-24H,3-6,8-10H2,1-2H3/t12-,13-,14+,15+,16-,17+,18-,19-,20-/m0/s1
InChIKey PLSJWYGUXJQOHV-VVIXYNOMSA-N
SMILES O1[C@@H]2C3=C[C@H](O)[C@H]4[C@@]([C@H](O)CC[C@@]4([C@]35CC[C@@](C1)(O)[C@H]2C5)C)(CO)C
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A56 (CHEBI:224951) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1R,2S,5R,6R,7R,8S,11S,14R,18S)-6-(hydroxymethyl)-2,6-dimethyl-12-oxapentacyclo[9.5.2.01,10.02,7.014,18]octadec-9-ene-5,8,14-triol
Manual Xref Database
78966223 ChemSpider
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