CHEBI:224708 - Aphidicolin A11

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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 A11
ChEBI ID CHEBI:224708
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(10-21)15(24)3-4-18(2)16(17)14(23)8-12-7-13-9-19(12,18)5-6-20(13,25)11-22/h10,12-13,15-16,22,24-25H,3-9,11H2,1-2H3/t12-,13-,15-,16+,17-,18+,19+,20+/m1/s1
InChIKey CMHJPHNAYVYXQM-FRRBHXSNSA-N
SMILES O=C1[C@H]2[C@](C=O)([C@H](O)CC[C@@]2([C@]34CC[C@]([C@H](C[C@@H]3C1)C4)(O)CO)C)C
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A11 (CHEBI:224708) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,5R,6S,7R,10R,12R,13R)-5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyl-8-oxotetracyclo[10.3.1.01,10.02,7]hexadecane-6-carbaldehyde
Manual Xref Database
78966178 ChemSpider
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