CHEBI:207105 - Chartarene B

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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 Chartarene B
ChEBI ID CHEBI:207105
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H26O4
Net Charge 0
Average Mass 282.380
Monoisotopic Mass 282.18311
InChI InChI=1S/C16H26O4/c1-10-5-6-14(2)12(7-10)20-16(9-17)13(19-4)8-11(18)15(14,16)3/h7,11-13,17-18H,5-6,8-9H2,1-4H3/t11-,12-,13+,14+,15-,16-/m1/s1
InChIKey HUOIYUNHZSQGOK-OWDFPOFWSA-N
SMILES O1[C@]2([C@@]([C@H](O)C[C@@H]2OC)(C)[C@@]3([C@H]1C=C(CC3)C)C)CO
Metabolite of Species Details
Stachybotrys chartarum (NCBI:txid74722) See: DOI
ChEBI Ontology
Outgoing Chartarene B (CHEBI:207105) is a oxolanes (CHEBI:26912)
IUPAC Name
(1R,3S,3aR,4aR,8aR,8bS)-3a-(hydroxymethyl)-3-methoxy-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzouran-1-ol
Manual Xref Database
61708718 ChemSpider
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