CHEBI:169779 - Artelastochromene

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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 Artelastochromene
ChEBI ID CHEBI:169779
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H30O6
Net Charge 0
Average Mass 486.564
Monoisotopic Mass 486.20424
InChI InChI=1S/C30H30O6/c1-15(2)7-9-20-27-19(11-12-30(5,6)36-27)25(32)24-26(33)23-22(13-16(3)4)34-21-14-17(31)8-10-18(21)28(23)35-29(20)24/h7-8,10-14,22,31-32H,9H2,1-6H3
InChIKey NECAWZYXMSKYRB-UHFFFAOYSA-N
SMILES O1C(C=CC=2C1=C(C=3OC4=C(C(OC5=C4C=CC(O)=C5)C=C(C)C)C(=O)C3C2O)CC=C(C)C)(C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Artelastochromene (CHEBI:169779) is a extended flavonoid (CHEBI:71037)
IUPAC Name
7,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,7,15,17,21-octaen-13-one
Manual Xrefs Databases
4581491 ChemSpider
LMPK12111533 LIPID MAPS
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