CHEBI:204840 - Norcyclocitrinol A

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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 Norcyclocitrinol A
ChEBI ID CHEBI:204840
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H34O4
Net Charge 0
Average Mass 374.521
Monoisotopic Mass 374.24571
InChI InChI=1S/C23H34O4/c1-22-8-7-17-14-3-4-16(25)12-15(11-14)20(26)13-18(17)19(22)5-6-21(22)23(2,27)9-10-24/h3,13,15-17,19,21,24-25,27H,4-12H2,1-2H3/t15-,16-,17+,19-,21-,22-,23-/m0/s1
InChIKey BPJRZPAHXODCEI-LKVXINCTSA-N
SMILES O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3[C@@](O)(CCO)C)C)C=4C[C@H]1C[C@@H](O)CC4
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Norcyclocitrinol A (CHEBI:204840) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2R,5S,6S,9R,13S,15S)-6-[(2S)-2,4-dihydroxybutan-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual Xref Database
78441023 ChemSpider
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