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CHEBI:215984 - 6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene

ChEBI IDCHEBI:215984
ChEBI Name6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILESCO[C@H]1CC(=O)c2c(O)ccc3c2[C@@]1(O)[C@@H]1c2c-3ccc(O)c2[C@@H](O)[C@@H]2O[C@@H]21
InChIInChI=1S/C21H18O7/c1-27-12-6-11(24)14-9(22)5-3-8-7-2-4-10(23)15-13(7)17(21(12,26)16(8)14)19-20(28-19)18(15)25/h2-5,12,17-20,22-23,25-26H,6H2,1H3/t12-,17+,18+,19+,20-,21+/m0/s1
InChIKeyNVODHWKAAUNLFB-CMBVTXLXSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - DOI (10.1016/j.phytol.2015.01.008)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
6-methoxy-3,6a,9,10-tetrahydroxy-7,8-epoxy-4-oxo-4,5,6,6a,6b,7,8,9-octahydroperylene (CHEBI:215984) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(9S,10S,11R,12R,14S,15R)-5,10,15,17-tetrahydroxy-9-methoxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaen-7-one
Manual XrefsDatabases
78442241ChemSpider