CHEBI:209871 - Diaporthein 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 Diaporthein B
ChEBI ID CHEBI:209871
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O6
Net Charge 0
Average Mass 364.438
Monoisotopic Mass 364.18859
InChI InChI=1S/C20H28O6/c1-5-16(4)9-12-14(22)19(24)20(25)15(2,3)7-6-8-17(20,11-26-19)18(12,23)13(21)10-16/h5,9,13,21,23-25H,1,6-8,10-11H2,2-4H3/t13-,16-,17+,18?,19+,20-/m1/s1
InChIKey FVYIOIBMUVNZMQ-RUPLKUBASA-N
SMILES O=C1C2=C[C@@](C=C)(C[C@H](C2(O)[C@]34CCCC([C@@]4([C@]1(OC3)O)O)(C)C)O)C
Metabolite of Species Details
Diaporthe (NCBI:txid36922) See: PubMed
ChEBI Ontology
Outgoing Diaporthein B (CHEBI:209871) is a oxacycle (CHEBI:38104)
IUPAC Name
(1S,3R,5R,9R,10R)-5-ethenyl-2,3,9,10-tetrahydroxy-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-en-8-one
Manual Xref Database
78437947 ChemSpider
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