CHEBI:225005 - Aphidicolin A66

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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 A66
ChEBI ID CHEBI:225005
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O4
Net Charge 0
Average Mass 320.429
Monoisotopic Mass 320.19876
InChI InChI=1S/C19H28O4/c1-11-12-3-4-13-16(22)14-9-18(13,7-8-19(14,23)10-20)17(12,2)6-5-15(11)21/h4,11-12,14,16,20,22-23H,3,5-10H2,1-2H3/t11-,12-,14-,16-,17-,18-,19-/m0/s1
InChIKey LNZYJSLTBFBUBA-OQCIHVHGSA-N
SMILES O=C1[C@H]([C@H]2[C@]([C@]34C([C@H](O)[C@H](C3)[C@@](CC4)(O)CO)=CC2)(C)CC1)C
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A66 (CHEBI:225005) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2S,6S,7S,11R,12S,13R)-11,13-dihydroxy-13-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadec-9-en-5-one
Manual Xref Database
78966233 ChemSpider
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