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CHEBI:224374 - 30-di-(O-methyl)actamycin25

ChEBI IDCHEBI:224374
ChEBI Name30-di-(O-methyl)actamycin25
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H49NO10
Net Charge0
Average Mass715.840
Monoisotopic Mass715.33565
SMILESCOC1=C2NC(=O)/C(C)=C\C=C/C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O
InChIInChI=1S/C41H49NO10/c1-21-12-10-9-11-13-24(4)41(51)42-34-38(49)29-19-27(7)37(48)33(32(29)39(50)40(34)52-8)36(47)26(6)18-25(5)35(46)23(3)15-17-28(43)16-14-22(2)31(45)20-30(21)44/h9-15,17-19,21,23,25,28,30,35,43-44,46,48H,16,20H2,1-8H3,(H,42,51)/b11-9-,12-10+,17-15+,22-14+,24-13-,26-18+/t21-,23-,25-,28-,30-,35-/m0/s1
InChIKeyAWDFLSTVICEQJQ-AWYKWAPWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9917011)
ChEBI Ontology
Outgoing Relation(s)
30-di-(O-methyl)actamycin25 (CHEBI:224374) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(7E,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26Z)-4,10,14,20-tetrahydroxy-31-methoxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone