CHEBI:218174 - Dahliane 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 Dahliane D
ChEBI ID CHEBI:218174
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/c1-11(9-21)16-18(25)17(24)14-8-13-12(10-22)15(23)4-5-19(13,2)6-7-20(14,16)3/h8,11,16-18,21-22,24-25H,4-7,9-10H2,1-3H3/t11?,16-,17-,18-,19-,20-/m0/s1
InChIKey XZPHWDDYNZKGQF-WBACSBQKSA-N
SMILES O=C1C(=C2C=C3[C@]([C@@H](C(CO)C)[C@@H]([C@H]3O)O)(C)CC[C@]2(C)CC1)CO
Metabolite of Species Details
Verticillium dahliae (NCBI:txid27337) See: PubMed
ChEBI Ontology
Outgoing Dahliane D (CHEBI:218174) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(1S,2S,3R,3aR,5aR)-1,2-dihydroxy-9-(hydroxymethyl)-3-(1-hydroxypropan-2-yl)-3a,5a-dimethyl-2,3,4,5,6,7-hexahydro-1H-benzo[]azulen-8-one
Manual Xref Database
78441791 ChemSpider
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