CHEBI:227464 - Pesudocyclocitrinol 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 Pesudocyclocitrinol A
ChEBI ID CHEBI:227464
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/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10-/t15?,17-,18-,19+,21+,22-,23?,25+/m0/s1
InChIKey HDGOYEAHQQCXLC-GTRYZRFHSA-N
SMILES O=C1C=C2[C@H](CC[C@]3([C@H]2CC[C@@H]3/C(=C\C(O)C(O)C)/C)C)C=4C[C@H]1C[C@@H](O)CC4
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: DOI
ChEBI Ontology
Outgoing Pesudocyclocitrinol A (CHEBI:227464) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2R,5R,6R,9R,13S,15S)-6-[(Z)-4,5-dihydroxyhex-2-en-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual Xref Database
78441445 ChemSpider
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