CHEBI:216058 - Nematoctone

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 Nematoctone
ChEBI ID CHEBI:216058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O5
Net Charge 0
Average Mass 354.402
Monoisotopic Mass 354.14672
InChI InChI=1S/C21H22O5/c1-9-8-25-19-16-14(23)5-4-13(22)15(16)18-17-11(20(24)26-18)2-3-12-10(9)6-7-21(12,17)19/h4-5,10-12,17-19,22-23H,1-3,6-8H2/t10-,11-,12+,17-,18-,19-,21-/m1/s1
InChIKey MBHXPROXDIPXFX-BYWFDOGKSA-N
SMILES O=C1O[C@@H]2C3=C(O)C=CC(=C3[C@@H]4[C@@]56[C@@H]2[C@H]1CC[C@H]5[C@@H](C(=C)CO4)CC6)O
Metabolite of Species Details
Hohenbuehelia (NCBI:txid71886) See: PubMed
ChEBI Ontology
Outgoing Nematoctone (CHEBI:216058) is a naphthofuran (CHEBI:39270)
IUPAC Name
(1R,4S,8S,15S,18R,21S,22S)-10,13-dihydroxy-5-methylidene-7,16-dioxahexacyclo[13.6.1.01,8.04,21.09,14.018,22]docosa-9,11,13-trien-17-one