CHEBI:203379 - Naematolin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Naematolin B
ChEBI ID CHEBI:203379
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24O6
Net Charge 0
Average Mass 324.373
Monoisotopic Mass 324.15729
InChI InChI=1S/C17H24O6/c1-8-5-12(23-10(3)19)15(21)9(2)11-6-17(4,7-18)13(11)16(22)14(8)20/h5,11-14,16,18,20,22H,2,6-7H2,1,3-4H3/b8-5-/t11-,12-,13-,14-,16+,17-/m1/s1
InChIKey XXGBCFDTQQQLPZ-IQHSSVNRSA-N
SMILES O=C1C(=C)[C@@H]2[C@@H]([C@](CO)(C)C2)[C@H](O)[C@@H](C(=C[C@H]1OC(=O)C)C)O
Metabolite of Species Details
Hypholoma fasciculare (NCBI:txid72129) See: DOI
ChEBI Ontology
Outgoing Naematolin B (CHEBI:203379) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(1S,4R,5Z,7R,8S,9S,10S)-7,8-dihydroxy-10-(hydroxymethyl)-6,10-dimethyl-2-methylidene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate