CHEBI:211634 - Alokicenone H

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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 Alokicenone H
ChEBI ID CHEBI:211634
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O8
Net Charge 0
Average Mass 416.426
Monoisotopic Mass 416.14712
InChI InChI=1S/C22H24O8/c1-4-30-22(28)14(21(27)29-3)8-11-12-9-13-15(23)5-6-16(24)19(13)20(26)18(12)10(2)7-17(11)25/h7,9,14-15,23,25-26H,4-6,8H2,1-3H3/t14-,15-/m0/s1
InChIKey JWHVHOHFMSBJIG-GJZGRUSLSA-N
SMILES O=C1C2=C(O)C=3C(=C(C(O)=CC3C)C[C@H](C(=O)OCC)C(=O)OC)C=C2[C@@H](O)CC1
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing Alokicenone H (CHEBI:211634) is a anthracenes (CHEBI:46955)
IUPAC Name
1-O-ethyl 3-O-methyl (2S)-2-[[(8S)-2,8,10-trihydroxy-4-methyl-5-oxo-7,8-dihydro-6H-anthracen-1-yl]methyl]propanedioate
Manual Xref Database
71048813 ChemSpider
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