CHEBI:200347 - Erythro-11alpha-hydroxyneocyclocitrinol

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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 Erythro-11alpha-hydroxyneocyclocitrinol
ChEBI ID CHEBI:200347
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O5
Net Charge 0
Average Mass 416.558
Monoisotopic Mass 416.25627
InChI InChI=1S/C25H36O5/c1-13(8-21(28)14(2)26)19-6-7-20-18-11-22(29)16-9-15(4-5-17(27)10-16)24(18)23(30)12-25(19,20)3/h4,8,11,14,16-17,19-21,23-24,26-28,30H,5-7,9-10,12H2,1-3H3/b13-8+/t14?,16-,17-,19+,20-,21?,23+,24+,25+/m0/s1
InChIKey UCXIVCGQGYMRDA-CTDJYQMMSA-N
SMILES O=C1C=C2[C@H]([C@H](O)C[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 Erythro-11alpha-hydroxyneocyclocitrinol (CHEBI:200347) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name
(2R,3R,5R,6R,9R,13S,15S)-6-[(E)-4,5-dihydroxyhex-2-en-2-yl]-3,15-dihydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual Xref Database
78440822 ChemSpider
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