CHEBI:207916 - 24-epi-cyclocitrinol

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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 24-epi-cyclocitrinol
ChEBI ID CHEBI:207916
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O4
Net Charge 0
Average Mass 400.559
Monoisotopic Mass 400.26136
InChI InChI=1S/C25H36O4/c1-15(26)8-11-25(3,29)23-7-6-21-20-14-22(28)17-12-16(4-5-18(27)13-17)19(20)9-10-24(21,23)2/h4,8,11,14-15,17-19,21,23,26-27,29H,5-7,9-10,12-13H2,1-3H3/b11-8+/t15-,17-,18-,19+,21-,23?,24-,25?/m0/s1
InChIKey QZAMIRPHNVBTIV-FBHGWYSSSA-N
SMILES O=C1C=C2[C@H](CC[C@]3([C@H]2CCC3C(O)(/C=C/[C@@H](O)C)C)C)C=4C[C@H]1C[C@@H](O)CC4
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 24-epi-cyclocitrinol (CHEBI:207916) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2R,5S,9R,13S,15S)-6-[(E,5S)-2,5-dihydroxyhex-3-en-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual Xref Database
78437345 ChemSpider
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