CHEBI:175487 - Armillarilin

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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 Armillarilin
ChEBI ID CHEBI:175487
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30O7
Net Charge 0
Average Mass 430.497
Monoisotopic Mass 430.19915
InChI InChI=1S/C24H30O7/c1-13-6-15(30-5)7-16(26)19(13)20(27)31-18-10-22(4)17-9-21(2,3)12-23(17,28)8-14(11-25)24(18,22)29/h6-8,11,17-18,26,28-29H,9-10,12H2,1-5H3
InChIKey JGQMXVRWAOSIBE-UHFFFAOYSA-N
SMILES OC12C(C3C(O)(CC(C3)(C)C)C=C1C=O)(CC2OC(=O)C=4C(=CC(OC)=CC4O)C)C
ChEBI Ontology
Outgoing Armillarilin (CHEBI:175487) is a benzoate ester (CHEBI:36054)
Armillarilin (CHEBI:175487) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(3-ormyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl) 2-hydroxy-4-methoxy-6-methylbenzoate
Manual Xrefs Databases
19994087 ChemSpider
HMDB0031673 HMDB
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