CHEBI:174956 - Scutigeral

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 Scutigeral
ChEBI ID CHEBI:174956
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32O4
Net Charge 0
Average Mass 372.505
Monoisotopic Mass 372.23006
InChI InChI=1S/C23H32O4/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-18(5)20(14-24)22(26)23(27)21(19)25/h8,10,12,14,25-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
InChIKey XQTQSUUULVXJPG-JTCWOHKRSA-N
SMILES OC=1C(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)=C(C(=C(O)C1O)C=O)C
ChEBI Ontology
Outgoing Scutigeral (CHEBI:174956) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
2,3,4-trihydroxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
Manual Xrefs Databases
4476250 ChemSpider
HMDB0030012 HMDB
View more database links