CHEBI:211506 - Aspergiloid D

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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 Aspergiloid D
ChEBI ID CHEBI:211506
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O3
Net Charge 0
Average Mass 320.473
Monoisotopic Mass 320.23514
InChI InChI=1S/C20H32O3/c1-6-19(4)10-7-13-12(17(19)23)11-14(21)16-18(2,3)9-8-15(22)20(13,16)5/h6,11,13-17,21-23H,1,7-10H2,2-5H3/t13-,14-,15+,16-,17+,19-,20-/m0/s1
InChIKey OYKNTSVOOWIRJG-SEMYFXIOSA-N
SMILES O[C@@H]1C2=C[C@H](O)[C@H]3C(CC[C@H]([C@@]3([C@H]2CC[C@@]1(C=C)C)C)O)(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Aspergiloid D (CHEBI:211506) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2R,4aS,4bR,5R,8aS,9S)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene-1,5,9-triol
Manual Xref Database
28496408 ChemSpider
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