CHEBI:207781 - A-80915G-8"-acid

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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 A-80915G-8"-acid
ChEBI ID CHEBI:207781
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O7
Net Charge 0
Average Mass 440.492
Monoisotopic Mass 440.18350
InChI InChI=1S/C25H28O7/c1-14(2)8-10-25-22(29)20-18(12-17(26)13-19(20)27)21(28)24(25,32-25)11-9-15(3)6-5-7-16(4)23(30)31/h7-9,12-13,26-27H,5-6,10-11H2,1-4H3,(H,30,31)/b15-9+,16-7+/t24-,25+/m0/s1
InChIKey AKNFWTRLIQUPJV-OYQNMOSVSA-N
SMILES O=C1C2=C(O)C=C(O)C=C2C(=O)[C@]3([C@@]1(O3)CC=C(C)C)C/C=C(/CC/C=C(/C(=O)O)\C)\C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing A-80915G-8"-acid (CHEBI:207781) is a menaquinones (CHEBI:25185)
IUPAC Name
(2E,6E)-8-[(1aR,7aS)-4,6-dihydroxy-7a-(3-methylbut-2-enyl)-2,7-dioxonaphtho[2,3-b]oxiren-1a-yl]-2,6-dimethylocta-2,6-dienoic acid
Manual Xref Database
27023354 ChemSpider
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