CHEBI:197221 - NORCANTHARIDIN

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 NORCANTHARIDIN
ChEBI ID CHEBI:197221
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H8O4
Net Charge 0
Average Mass 168.148
Monoisotopic Mass 168.04226
InChI InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2
InChIKey JAABVEXCGCXWRR-UHFFFAOYSA-N
SMILES O1C2C3C(C1CC2)C(OC3=O)=O
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing NORCANTHARIDIN (CHEBI:197221) is a furofuran (CHEBI:47790)
IUPAC Names
(1R,2S,6R,7S)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Manual Xrefs Databases
8053159 ChemSpider
83957 ChemSpider
D97665 KEGG DRUG
HMDB0245751 HMDB
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