CHEBI:226557 - 5-dehydroxycyclooctatin

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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 5-dehydroxycyclooctatin
ChEBI ID CHEBI:226557
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O2
Net Charge 0
Average Mass 306.490
Monoisotopic Mass 306.25588
InChI InChI=1S/C20H34O2/c1-13(2)15-7-9-19(3)11-16-14(12-21)5-6-18(16)20(4,22)10-8-17(15)19/h8,13-16,18,21-22H,5-7,9-12H2,1-4H3/t14-,15+,16+,18+,19+,20-/m0/s1
InChIKey OKIFUMKZCFNGTL-QWFGBESBSA-N
SMILES O[C@@]1([C@H]2[C@@H]([C@H](CO)CC2)C[C@]3(CC[C@@H](C3=CC1)C(C)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing 5-dehydroxycyclooctatin (CHEBI:226557) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(1R,3R,4R,7R,8S,12R)-4-(hydroxymethyl)-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol