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CHEBI:226852 - 8-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-5-methoxy-3-methyl-6-[(3S)-2-oxopiperidin-3-yl]-5H-benzo[b]phenanthridine-7,12-dione

ChEBI IDCHEBI:226852
ChEBI Name8-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-5-methoxy-3-methyl-6-[(3S)-2-oxopiperidin-3-yl]-5H-benzo[b]phenanthridine-7,12-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32N2O9
Net Charge0
Average Mass564.591
Monoisotopic Mass564.21078
SMILESCOC1c2cc(C)cc(O)c2C2=C(C(=O)c3c(O[C@H]4C[C@@H](O)[C@@H](O)[C@H](C)O4)cccc3C2=O)N1[C@H]1CCCNC1=O
InChIInChI=1S/C30H32N2O9/c1-13-10-16-22(18(33)11-13)24-25(32(30(16)39-3)17-7-5-9-31-29(17)38)28(37)23-15(27(24)36)6-4-8-20(23)41-21-12-19(34)26(35)14(2)40-21/h4,6,8,10-11,14,17,19,21,26,30,33-35H,5,7,9,12H2,1-3H3,(H,31,38)/t14-,17-,19+,21-,26-,30?/m0/s1
InChIKeyMCJNSBWQSXKPCQ-LJTNYANWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces venezuelae (ncbitaxon:54571) - PubMed (29700425)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
8-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-5-methoxy-3-methyl-6-[(3S)-2-oxopiperidin-3-yl]-5H-benzo[b]phenanthridine-7,12-dione (CHEBI:226852) is a alkaloid (CHEBI:22315)
IUPAC Name 
8-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-5-methoxy-3-methyl-6-[(3S)-2-oxopiperidin-3-yl]-5H-benzo[b]phenanthridine-7,12-dione
Manual XrefsDatabases
78440531ChemSpider