CHEBI:216928 - Phomopoxide 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 Phomopoxide B
ChEBI ID CHEBI:216928
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O6
Net Charge 0
Average Mass 344.448
Monoisotopic Mass 344.21989
InChI InChI=1S/C18H32O6/c1-2-3-4-5-6-7-8-12(20)9-10-13-14(11-19)16(22)18(24)17(23)15(13)21/h9-10,12,15-24H,2-8,11H2,1H3/b10-9-/t12-,15+,16+,17-,18-/m0/s1
InChIKey DAABLEBQAMFRQW-QSBUVSRSSA-N
SMILES O[C@@H]1C(=C([C@@H](O)[C@@H]([C@H]1O)O)CO)/C=C\[C@@H](O)CCCCCCCC
Metabolite of Species Details
Phomopsisspecies YE3250 (NCBI:txid1440777) See: PubMed
ChEBI Ontology
Outgoing Phomopoxide B (CHEBI:216928) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name
(1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(Z,3S)-3-hydroxyundec-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol