CHEBI:214450 - Spiroacaciicolide 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 Spiroacaciicolide B
ChEBI ID CHEBI:214450
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O3
Net Charge 0
Average Mass 252.354
Monoisotopic Mass 252.17254
InChI InChI=1S/C15H24O3/c1-11(17)15(18)9-8-13(2,3)14(15)6-4-12(10-16)5-7-14/h4,16,18H,5-10H2,1-3H3/t14-,15-/m1/s1
InChIKey GBWWGMITFQSFTI-HUUCEWRRSA-N
SMILES O=C([C@@]1(O)[C@]2(C(C)(C)CC1)CC=C(CO)CC2)C
Metabolite of Species Details
Pseudolagarobasidium acaciicola (NCBI:txid386453) See: PubMed
ChEBI Ontology
Outgoing Spiroacaciicolide B (CHEBI:214450) is a ketone (CHEBI:17087)
IUPAC Name
1-[(4S,5S)-4-hydroxy-8-(hydroxymethyl)-1,1-dimethylspiro[4.5]dec-8-en-4-yl]ethanone
Manual Xref Database
58197269 ChemSpider
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