CHEBI:200877 - Hydroxycyanobacterin

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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 Hydroxycyanobacterin
ChEBI ID CHEBI:200877
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H23ClO5
Net Charge 0
Average Mass 402.870
Monoisotopic Mass 402.12340
InChI InChI=1S/C22H23ClO5/c1-13(2)22(26)17(10-15-6-9-19(24)18(23)11-15)21(25)28-20(22)12-14-4-7-16(27-3)8-5-14/h4-9,11-13,17,24,26H,10H2,1-3H3/b20-12-/t17-,22+/m0/s1
InChIKey RSVNZCJGMZWPMU-ITMNURAISA-N
SMILES ClC1=C(O)C=CC(=C1)C[C@H]2C(=O)O\C(\[C@@]2(O)C(C)C)=C/C3=CC=C(OC)C=C3
Metabolite of Species Details
Scytonema hofmannii (NCBI:txid34078) See: DOI
ChEBI Ontology
Outgoing Hydroxycyanobacterin (CHEBI:200877) is a methoxybenzenes (CHEBI:51683)
IUPAC Name
(3R,4R,5Z)-3-[(3-chloro-4-hydroxyphenyl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one
Manual Xref Database
78440090 ChemSpider
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