CHEBI:224932 - Aphidicolin A52

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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 A52
ChEBI ID CHEBI:224932
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(11-21)14-4-3-12-9-13-10-19(12,7-8-20(13,25)16(23)24)18(14,2)6-5-15(17)22/h3,13-15,21-22,25H,4-11H2,1-2H3,(H,23,24)/t13-,14+,15-,17+,18+,19+,20-/m1/s1
InChIKey VZCNFBDSJFYVOH-SQFSKDKGSA-N
SMILES O=C(O)[C@]1(O)[C@@H]2CC3=CC[C@@H]4[C@@]([C@]3(C2)CC1)(CC[C@H]([C@]4(CO)C)O)C
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A52 (CHEBI:224932) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,5R,6R,7R,12R,13R)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-ene-13-carboxylic acid
Manual Xref Database
78966219 ChemSpider
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