CHEBI:224908 - Aphidicolin A48

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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 A48
ChEBI ID CHEBI:224908
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O4
Net Charge 0
Average Mass 336.472
Monoisotopic Mass 336.23006
InChI InChI=1S/C20H32O4/c1-17(2)5-4-6-18(3)16(17)14(22)9-12-15(23)13-10-19(12,18)7-8-20(13,24)11-21/h9,13-16,21-24H,4-8,10-11H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1
InChIKey SFYFCRSKCFIBEC-YNZDMMAESA-N
SMILES O[C@]1([C@@H]2[C@@H](O)C3=C[C@H](O)[C@@H]4[C@@]([C@]3(C2)CC1)(CCCC4(C)C)C)CO
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A48 (CHEBI:224908) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2S,7S,8S,11R,12S,13R)-13-(hydroxymethyl)-2,6,6-trimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-ene-8,11,13-triol
Manual Xref Database
78966215 ChemSpider
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