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CHEBI:219769 - Arenimycin

ChEBI IDCHEBI:219769
ChEBI NameArenimycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H33NO14
Net Charge0
Average Mass667.620
Monoisotopic Mass667.19010
SMILESCOC(=O)c1c(C)cc2c(c1O)[C@@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@@]1(OC)CC2)C(=O)C=C(N[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@H]1OC)C4=O
InChIInChI=1S/C33H33NO14/c1-11-8-13-6-7-32(47-5)29(42)20-15(28(41)33(32,44)21(13)25(39)18(11)31(43)46-4)9-14-19(24(20)38)17(35)10-16(23(14)37)34-30-27(45-3)26(40)22(36)12(2)48-30/h8-10,12,22,26-27,30,34,36,38-40,44H,6-7H2,1-5H3/t12-,22-,26-,27+,30-,32-,33+/m0/s1
InChIKeyVACDYOFFZQTSPN-HAKWYHDRSA-N
Species of MetaboliteComponentSourceComments
Salinispora arenicola (ncbitaxon:168697) - PubMed (19927167)
ChEBI Ontology
Outgoing Relation(s)
Arenimycin (CHEBI:219769) is a quinone (CHEBI:36141)
Arenimycin (CHEBI:219769) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (6aR,14aS)-11-[[(2S,3R,4S,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]amino]-1,8,14a-trihydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate
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