CHEBI:201673 - Precyclocitrinol 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 Precyclocitrinol B
ChEBI ID CHEBI:201673
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34O3
Net Charge 0
Average Mass 382.544
Monoisotopic Mass 382.25079
InChI InChI=1S/C25H34O3/c1-4-5-23-25(3,28-23)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26H,7-13H2,1-3H3/b5-4+/t16-,17-,18+,20-,22?,23?,24-,25+/m0/s1
InChIKey QCMSHZCOLRBKOM-CVQVVLEXSA-N
SMILES O=C1C=C2[C@H](CC[C@]3([C@H]2CCC3[C@]4(OC4/C=C/C)C)C)C=5C[C@H]1C[C@@H](O)CC5
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Precyclocitrinol B (CHEBI:201673) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2R,5S,9R,13S,15S)-15-hydroxy-5-methyl-6-[(2R)-2-methyl-3-[(E)-prop-1-enyl]oxiran-2-yl]tetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual Xref Database
78436768 ChemSpider
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