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CHEBI:222774 - N1999A2

ChEBI IDCHEBI:222774
ChEBI NameN1999A2
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SubmitterMetaboLights
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FormulaC27H21ClO8
Net Charge0
Average Mass508.910
Monoisotopic Mass508.09250
SMILESCOc1cc2c(C(=O)OC3C=C4C#CC5(C(O)CO)OC5C#C/C=C\4C3)c(O)ccc2c(CO)c1Cl
InChIInChI=1S/C27H21ClO8/c1-34-21-11-18-17(19(12-29)25(21)28)5-6-20(31)24(18)26(33)35-16-9-14-3-2-4-23-27(36-23,22(32)13-30)8-7-15(14)10-16/h3,5-6,10-11,16,22-23,29-32H,9,12-13H2,1H3/b14-3-
InChIKeyCQTJGCQVQDQRDL-BNNQUZSASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4039(98)01383-5)
ChEBI Ontology
Outgoing Relation(s)
N1999A2 (CHEBI:222774) is a carbonyl compound (CHEBI:36586)
N1999A2 (CHEBI:222774) is a naphthalenes (CHEBI:25477)
IUPAC Name 
[(9Z)-4-(1,2-dihydroxyethyl)-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 6-chloro-2-hydroxy-5-(hydroxymethyl)-7-methoxynaphthalene-1-carboxylate
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