CHEBI:228115 - Wailupemycin I

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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 Wailupemycin I
ChEBI ID CHEBI:228115
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H30O11
Net Charge 0
Average Mass 722.702
Monoisotopic Mass 722.17881
InChI InChI=1S/C43H30O11/c44-29-15-7-13-24-37(26(18-33(48)38(24)29)22-9-3-1-4-10-22)35-19-31(46)27(41(50)53-35)17-28-32(47)20-36(54-42(28)51)40-25-14-8-16-30(45)39(25)34(49)21-43(40,52)23-11-5-2-6-12-23/h1-16,18-20,40,44-48,52H,17,21H2/t40-,43-/m0/s1
InChIKey QHYKKBSQYKEHSK-NWFICIJOSA-N
SMILES O=C1OC(C2=C(C3=CC=CC=C3)C=C(O)C=4C2=CC=CC4O)=CC(=C1CC=5C(=O)OC([C@@H]6C7=C(C(O)=CC=C7)C(=O)C[C@]6(O)C8=CC=CC=C8)=CC5O)O
Metabolite of Species Details
Streptomycesspecies OUCMDZ-3434 (NCBI:txid1535304) See: PubMed
ChEBI Ontology
Outgoing Wailupemycin I (CHEBI:228115) is a benzenes (CHEBI:22712)
Wailupemycin I (CHEBI:228115) is a naphthalenes (CHEBI:25477)
Wailupemycin I (CHEBI:228115) is a ring assembly (CHEBI:36820)
IUPAC Name
6-[(1R,2R)-2,5-dihydroxy-4-oxo-2-phenyl-1,3-dihydronaphthalen-1-yl]-3-[[6-(4,5-dihydroxy-2-phenylnaphthalen-1-yl)-4-hydroxy-2-oxopyran-3-yl]methyl]-4-hydroxypyran-2-one
Manual Xref Database
58196594 ChemSpider
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