CHEBI:174878 - 7-O-Acetylaustroinulin

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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-O-Acetylaustroinulin
ChEBI ID CHEBI:174878
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H36O4
Net Charge 0
Average Mass 364.526
Monoisotopic Mass 364.26136
InChI InChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(24)19(22(16,7)25)26-15(3)23/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10-
InChIKey IEAUFJOLHRNYMW-UVTDQMKNSA-N
SMILES OC1C2C(C(C(O)(C1OC(=O)C)C)C/C=C(/C)\C=C)(CCCC2(C)C)C
ChEBI Ontology
Outgoing 7-O-Acetylaustroinulin (CHEBI:174878) is a diterpenoid (CHEBI:23849)
IUPAC Name
[1,3-dihydroxy-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate
Manual Xrefs Databases
35014254 ChemSpider
HMDB0036804 HMDB
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