CHEBI:199820 - 7,8-Dehydronorbotryal

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 7,8-Dehydronorbotryal
ChEBI ID CHEBI:199820
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H20O2
Net Charge 0
Average Mass 220.312
Monoisotopic Mass 220.14633
InChI InChI=1S/C14H20O2/c1-8-5-11(16)13-12(10(8)7-15)9(2)6-14(13,3)4/h6-8,11,13,16H,5H2,1-4H3/t8-,11+,13-/m1/s1
InChIKey MUCYVPPEJHYFEC-YDEJPDAXSA-N
SMILES O=CC1=C2C(=CC([C@@H]2[C@@H](O)C[C@H]1C)(C)C)C
Metabolite of Species Details
Daldinia concentrica (NCBI:txid42361) See: PubMed
ChEBI Ontology
Outgoing 7,8-Dehydronorbotryal (CHEBI:199820) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(5R,7S,7aS)-7-hydroxy-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydroindene-4-carbaldehyde
Manual Xref Database
78440791 ChemSpider
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