CHEBI:224859 - Aphidicolin A39

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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 A39
ChEBI ID CHEBI:224859
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/c1-17-6-5-15(22)18(2,16(23)24)14(17)4-3-12-9-13-10-19(12,17)7-8-20(13,25)11-21/h9,13-15,21-22,25H,3-8,10-11H2,1-2H3,(H,23,24)/t13-,14-,15-,17+,18+,19+,20+/m1/s1
InChIKey BUHBLMJCWYBYOC-KLEXHFHZSA-N
SMILES O=C(O)[C@@]1([C@H](O)CC[C@]2([C@H]1CCC=3[C@@]24CC[C@](O)(CO)[C@@H](C4)C3)C)C
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A39 (CHEBI:224859) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,5R,6S,7R,12S,13R)-5,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-10-ene-6-carboxylic acid
Manual Xref Database
78966206 ChemSpider
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