CHEBI:224849 - Aphidicolin A37

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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 A37
ChEBI ID CHEBI:224849
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h9,11,14-16,22-24H,3-8,10,12H2,1-2H3/t14-,15+,16-,17+,18+,19+,20+/m1/s1
InChIKey KZRJAXKCOWVRTH-SXWOMNNJSA-N
SMILES O=C[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 A37 (CHEBI:224849) 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-carbaldehyde
Manual Xref Database
78966204 ChemSpider
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