CHEBI:205065 - Paraphaeosphaeride C

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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 Paraphaeosphaeride C
ChEBI ID CHEBI:205065
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H21NO4
Net Charge 0
Average Mass 267.325
Monoisotopic Mass 267.14706
InChI InChI=1S/C14H21NO4/c1-4-5-6-7-9-14(3,18)12(16)10-11(19-9)8(2)15-13(10)17/h9,12,16,18H,2,4-7H2,1,3H3,(H,15,17)/t9-,12-,14-/m0/s1
InChIKey BFRMUWSVGIMJSJ-WFBYXXMGSA-N
SMILES O=C1NC(=C)C2=C1[C@H](O)[C@](O)(C)[C@@H](O2)CCCCC
Metabolite of Species Details
Paraphaeosphaeria (NCBI:txid125369) See: PubMed
ChEBI Ontology
Outgoing Paraphaeosphaeride C (CHEBI:205065) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
(2S,3R,4S)-3,4-dihydroxy-3-methyl-7-methylidene-2-pentyl-2,4-dihydropyrano[2,3-c]pyrrol-5-one
Manual Xref Database
35000192 ChemSpider
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