CHEBI:216940 - Phomopoxide D

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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 D
ChEBI ID CHEBI:216940
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H30O5
Net Charge 0
Average Mass 326.433
Monoisotopic Mass 326.20932
InChI InChI=1S/C18H30O5/c1-2-3-4-5-6-7-8-12(20)9-10-13-14(11-19)16(22)18-17(23-18)15(13)21/h9-10,12,15-22H,2-8,11H2,1H3/b10-9+/t12-,15-,16-,17-,18+/m1/s1
InChIKey ZVSANRKMQKUFGR-GQNKRBSASA-N
SMILES O1[C@@H]2[C@H](O)C(/C=C/[C@H](O)CCCCCCCC)=C([C@H]([C@H]12)O)CO
Metabolite of Species Details
Phomopsisspecies YE3250 (NCBI:txid1440777) See: PubMed
ChEBI Ontology
Outgoing Phomopoxide D (CHEBI:216940) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name
(1S,2R,5R,6R)-3-(hydroxymethyl)-4-[(E,3R)-3-hydroxyundec-1-enyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol