CHEBI:202040 - Shikometabolin A

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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 Shikometabolin A
ChEBI ID CHEBI:202040
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H28O9
Net Charge 0
Average Mass 556.567
Monoisotopic Mass 556.17333
InChI InChI=1S/C32H28O9/c1-12(2)5-7-14-20-25(31(40)23-18(35)10-9-17(34)22(23)29(20)38)26-21(14)30(39)24-19(36)11-15(16(33)8-6-13(3)4)28(37)27(24)32(26)41/h5-6,9-11,16,33-34,38-41H,7-8H2,1-4H3/t16-/m1/s1
InChIKey GZLGDGNAPRORBA-MRXNPFEDSA-N
SMILES O=C1C=2C(=C(O)C3=C(CC=C(C)C)C=4C(=C3C2O)C(O)=C5C(=C(O)C=CC5=O)C4O)C(=O)C=C1[C@H](O)CC=C(C)C
Metabolite of Species Details
Bacteroides (NCBI:txid816) See: DOI
ChEBI Ontology
Outgoing Shikometabolin A (CHEBI:202040) is a naphthols (CHEBI:25392)