CHEBI:220979 - Benaphthamycin

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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 Benaphthamycin
ChEBI ID CHEBI:220979
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H20O10
Net Charge 0
Average Mass 504.447
Monoisotopic Mass 504.10565
InChI InChI=1S/C27H20O10/c1-8-21(30)11-6-9-7-13(29)17-18(14(9)23(32)16(11)27(35)37-8)25(34)19-20(26(17)36-2)24(33)15-10(22(19)31)4-3-5-12(15)28/h3-6,8,13,21,28-30,32,34H,7H2,1-2H3/t8-,13-,21+/m0/s1
InChIKey QCBIMYUNMRBERF-COMALLGBSA-N
SMILES O=C1O[C@H]([C@@H](O)C=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=CC=C6)C(C5C(=C4[C@@H](O)CC3C2)OC)=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Benaphthamycin (CHEBI:220979) is a quinone (CHEBI:36141)
Benaphthamycin (CHEBI:220979) is a tetracenes (CHEBI:51270)
IUPAC Name
(7S,8S,13S)-3,8,13,19,26-pentahydroxy-15-methoxy-7-methyl-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2,4(9),10,15,18(23),19,21,25-nonaene-5,17,24-trione
Manual Xref Database
78442884 ChemSpider
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